SCHEMBL181369

SCHEMBL181369

N#CCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SIGMAR1 Q99720 3/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 2/20 0.46
HTR2A P28223 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MIF P14174 1/20 0.45
IDO1 P14902 1/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
Hydrochloric Acid SCHEMBL9324490 0.98 MEN1 (0.50) MEN1KMT2ASIGMAR1MAOAMAOB
SCHEMBL1162643 0.93 MAOA (0.52) MEN1KMT2ASIGMAR1MAOAMAOB
SCHEMBL2971210 0.92 MEN1 (0.45) MEN1KMT2ASIGMAR1MAOAMAOB
SCHEMBL11805105 0.91 SIGMAR1 (0.52) MEN1KMT2ASIGMAR1MAOAMAOB
SCHEMBL972063 0.91 SIGMAR1 (0.52) MEN1KMT2ASIGMAR1MAOAMAOB
SCHEMBL28686924 0.91 SIGMAR1 (0.52) MEN1KMT2ASIGMAR1MAOAMAOB
SCHEMBL8903029 0.91 SIGMAR1 (0.52) MEN1KMT2ASIGMAR1MAOAMAOB
SCHEMBL11077476 0.91 SIGMAR1 (0.52) MEN1KMT2ASIGMAR1MAOAMAOB
SCHEMBL5988344 0.91 SIGMAR1 (0.52) MEN1KMT2ASIGMAR1MAOAMAOB
SCHEMBL9671911 0.87 MEN1 (0.46) MEN1KMT2AMAOBHTR2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121577791-A Gas chromatography detection method for residual quantity of 2-chloropyrrole in 5-formyl-2, 4-dimethyl-1H-pyrrole-3-carboxylic acid serving as sunitinib intermediate 扬州市普林斯医药科技有限公司 2026-02-27 CN claimed
CN-119595780-A Method for detecting residual solvent in paeonol raw material 河北大学 2025-03-11 CN claimed
CN-119574737-A Method for detecting residual solvent in 1,3, 5-trihydroxybenzene 河北广祥制药有限公司 2025-03-07 CN claimed
CN-115541753-B Dissolved precipitation-gas chromatography method for determining content of residual methylene dichloride, chloroform and carbon tetrachloride in polycarbonate 聊城鲁西聚碳酸酯有限公司 2025-02-25 CN claimed
CN-119492818-A Gas chromatographic analysis method and device for perfluoro-n-propyl vinyl ether 中昊晨光化工研究院有限公司 2025-02-21 CN claimed
CN-119198934-A Method and system for detecting residual solvent of buspirone hydrochloride solvent 武汉海特生物创新医药研究有限公司 2024-12-27 CN claimed
CN-119176526-A Preparation method of sulfuryl fluoride 万华化学集团股份有限公司 2024-12-24 CN claimed
CN-118937505-A Method for analyzing isosorbide dinitrate residual solvent 山东科源制药股份有限公司 2024-11-12 CN claimed
CN-118795043-A Oxaragrolidine inheritance method for detecting toxic impurities 金陵药业股份有限公司 2024-10-18 CN claimed
CN-118759060-A Method for detecting dichloromethane in polycaprolactone gel 山东采采医疗科技有限公司 2024-10-11 CN claimed
US-20080003363-A1 Novel metal nanoparticle and method for formation of conductive pattern using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-03 US claimed
WO-2007094885-A2 IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE SOUTHERN METHODIST UNIVERSITY (US) 2007-08-23 WO claimed
US-20070178575-A1 Identification Of A Nitrilase From B. Japonicum By Rational Genome Mining And Methods Of Use SOUTHERN METHODIST UNIVERSITY 2007-08-02 US claimed
EP-0531636-B1 Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INT FLAVORS & FRAGRANCES INC (US) 1995-10-18 EP claimed
EP-0628848-A1 ELECTROCHROMIC DEVICE Tonen Corporation (JP) 1994-12-14 EP claimed
EP-0531636-A1 Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-03-17 EP claimed
US-5179222-A Reaction of isobutyronitrile with styrene derivatives in the presence of sodium hydride and lithium diisopropylamide INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-01-12 US claimed
EP-0042177-B1 STABILIZERS FOR CYCLOALIPHATIC EPOXIDE CONTAINING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1986-07-02 EP claimed
EP-0042177-A1 Stabilizers for cycloaliphatic epoxide containing compositions UNION CARBIDE CORPORATION (US) 1981-12-23 EP claimed
US-4294746-A NITRILES OR ISOCYANATES FOR MOLDED ARTICLES UNION CARBIDE CORPORATION (US) 1981-10-13 US claimed