SCHEMBL45208

SCHEMBL45208

CCCCCc1cc[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
GPR84 Q9NQS5 1/20 0.38
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MIF P14174 1/20 0.36
MAPT P10636 1/20 0.36
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SHBG P04278 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL29024299 0.98 KCNH2 (0.52) KCNH2GPR84HIF1AEPAS1ESR1
SCHEMBL4629594 0.98 KCNH2 (0.52) KCNH2GPR84HIF1AEPAS1ESR1
SCHEMBL28354821 0.98 KCNH2 (0.52) KCNH2GPR84HIF1AEPAS1ESR1
SCHEMBL7430191 0.98 KCNH2 (0.52) KCNH2GPR84HIF1AEPAS1ESR1
SCHEMBL19520729 0.98 KCNH2 (0.52) KCNH2GPR84HIF1AEPAS1ESR1
SCHEMBL28351253 0.98 KCNH2 (0.52) KCNH2GPR84HIF1AEPAS1ESR1
Bromide SCHEMBL28351043 0.96 KCNH2 (0.50) KCNH2GPR84HIF1AEPAS1ESR1
Bromide SCHEMBL28351331 0.96 KCNH2 (0.50) KCNH2GPR84HIF1AEPAS1ESR1
Bromide SCHEMBL28347658 0.96 KCNH2 (0.50) KCNH2GPR84HIF1AEPAS1ESR1
SCHEMBL2318840 0.94

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

Appears in 2281 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986318-A Selenocysteine-mediated polypeptide fragment connection method and application thereof in polypeptide/protein synthesis 华南理工大学 2024-05-07 CN claimed
CN-117777024-A Improved process for preparing arylpyrazole nitriles 江苏优普生物化学科技股份有限公司 2024-03-29 CN claimed
CN-117024403-A Phenylpyrazole compound and application thereof 沈阳化工大学 2023-11-10 CN claimed
CN-116715719-A Method for activating polypeptide/protein hydrazide by using 3-methylpyrazole and application of method in polypeptide/protein synthesis 华南理工大学 2023-09-08 CN claimed
CN-114213329-B Preparation method of aryl pyrazole compound 中国农业科学院兰州畜牧与兽药研究所 2023-08-22 CN claimed
CN-114181152-B Preparation method of arylpyrazole drug intermediate 中国农业科学院兰州畜牧与兽药研究所 2023-08-22 CN claimed
CN-115850336-A Aryl-pyrazole axis chiral compound and preparation method and application thereof 四川大学 2023-03-28 CN claimed
CN-115677588-A 2,3,5,5-tetrasubstituted-4-carbonyl imidazole cyclic nitrone compound, preparation method and application 中国科学院成都有机化学有限公司 2023-02-03 CN claimed
CN-115572258-A C 2 Preparation method of axial chiral biquinoline framework compound 中国科学院成都有机化学有限公司 2023-01-06 CN claimed
CN-115403522-A Biphenyl quinoline skeleton compound with C2 axis chirality, chiral isomer thereof, preparation method and application thereof 中国科学院成都有机化学有限公司 2022-11-29 CN claimed
EP-0780378-A1 New 1-aryl pyrazole derivatives and their use as pesticides RHONE-POULENC AGROCHIMIE (FR) 1997-06-25 EP claimed
WO-1996038044-A1 A METHOD FOR CONTROLLING FLIES INFESTING MUSHROOMS BY USING A N-ARYLPYRAZOLE OR A N-HETEROARYLPYRAZOLE COMPOUND RHONE-POULENC AGROCHIMIE (FR) 1996-12-05 WO claimed
EP-0701553-A1 ARYLPYRAZOLE FUNGICIDES RHONE POULENC AGROCHIMIE (FR) 1996-03-20 EP claimed
US-5407808-A Treating tumor with inhibitor of protoporphyrinogen conversion to heme FMC CORPORATION (US) 1995-04-18 US claimed
EP-0638070-A1 FUNGICIDAL ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1995-02-15 EP claimed
WO-1994029276-A1 ARYLPYRAZOLE FUNGICIDES RHONE POULENC AGROCHIMIE (FR) 1994-12-22 WO claimed
US-5298502-A Exposure to light in presence of oxidase inhibitor FMC CORPORATION (US) 1994-03-29 US claimed
WO-1993022287-A1 FUNGICIDAL ARYLPYRAZOLES RHONE POULENC AGROCHIMIE (FR) 1993-11-11 WO claimed
EP-0447491-B1 PROTOPORPHYRINOGEN INHIBITORS AND THEIR USE IN COMPOSITIONS FOR DETECTING AND TREATING TUMOURS FMC CORP (US) 1993-08-11 EP claimed
EP-0222253-A1 Substituted 5-amino-1-aryl-pyrazoles BAYER AG (DE) 1987-05-20 EP claimed