SCHEMBL687156

SCHEMBL687156

Clc1ccc2cc3ccccc3cc2c1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.64
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 4/20 0.46
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 1/20 0.46
MAPT P10636 3/20 0.41
CYP1A2 P05177 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
ERBB2 P04626 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5027727 0.98 CYP2A6 (0.61) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL27740071 0.98 CYP2A6 (0.61) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL5013884 0.84 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL7918751 0.83 CYP2A6 (0.46) CYP2A6ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL6036938 0.79 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL9146362 0.79 CYP2A6 (0.48) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL17710541 0.78 CYP1A2 (0.46) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11138273 0.78 ESR1 (0.50) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11773669 0.78 CYP2A6 (0.43) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL11139742 0.78 MAPT (0.47) CYP2A6ALDH1A1HSD17B10HIF1ACYP1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106554004-B A kind of porous carbon materials and its preparation method and application prepared based on aromatic compound monomer 国家纳米科学中心 2018-10-23 CN claimed
CN-106554004-A A kind of porous carbon materials prepared based on aromatic compound monomer and its production and use 国家纳米科学中心 2017-04-05 CN claimed
CN-104280485-B A kind of simultaneous extraction, purify and detect the method for chloro polycyclic aromatic hydrocarbon in soil 南京大学 2016-11-30 CN claimed
WO-1992012424-A1 AN OPTICAL PROBE AND METHOD FOR MONITORING AN ANALYTE CONCENTRATION IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1992-07-23 WO claimed
WO-2024148126-A1 COLOR-TUNABLE UPCONVERSION-EMISSION SWITCH BASED ON COCRYSTAL-TO-COCRYSTAL TRANSFORMATION NORTHWESTERN UNIVERSITY (US) 2024-07-11 WO disclosed
CN-113166043-A Electrolyte for sulfur-based magnesium battery 富士胶片和光纯药株式会社 2021-07-23 CN disclosed
CN-110028465-A New compound, comprising its composition and the composition solidfied material 克美 2019-07-19 CN disclosed
CN-106554004-B A kind of porous carbon materials and its preparation method and application prepared based on aromatic compound monomer 国家纳米科学中心 2018-10-23 CN disclosed
CN-106554004-A A kind of porous carbon materials prepared based on aromatic compound monomer and its production and use 国家纳米科学中心 2017-04-05 CN disclosed
CN-102933366-B Integrated irradiation device 迈图高新材料有限责任公司 2016-12-21 CN disclosed
CN-104280485-B A kind of simultaneous extraction, purify and detect the method for chloro polycyclic aromatic hydrocarbon in soil 南京大学 2016-11-30 CN disclosed
CN-105642127-A Preparation method of anthraquinone functionalized polyvinylidene fluoride ultrafiltration membrane 厦门理工学院 2016-06-08 CN disclosed
EP-0660824-A1 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1995-07-05 EP disclosed
WO-1994017985-A1 PROCESS OF MAKING MICROPOROUS PPS MEMBRANES THE DOW CHEMICAL COMPANY (US) 1994-08-18 WO disclosed
WO-1994016040-A1 DISTILLATE FUELS COMPRISING MULTIFUNCTIONAL DIALKYLAMINO ALKYLETHER CYANURATE ADDITIVES MOBIL OIL CORPORATION (US) 1994-07-21 WO disclosed
WO-1994006771-A9 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS 1994-06-09 WO disclosed
WO-1992012424-A1 AN OPTICAL PROBE AND METHOD FOR MONITORING AN ANALYTE CONCENTRATION IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1992-07-23 WO disclosed
US-RE30279-E FROM ALKYL OR ARYL HALIDE WITH HALO-SUBSTITUTED TRIVALENT PHOSPHORUS COMPOUNDS AND PHOSPHORUS PENTASULFIDE OR -OXIDE STAUFFER CHEMICAL COMPANY (US) 1980-05-20 US disclosed
US-4182915-A PHENOL FROM BENZENE BY REACTION OF THALLIUM/III/ METALLATE WITH HYDROXYL DONOR HALCON INTERNATIONAL, INC. (US) 1980-01-08 US disclosed
US-4152504-A HIGH MOLECULAR WEIGHT, ALKENYLSODIUM-SODIUM ALKOXIDE CATALYSTS DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1979-05-01 US disclosed