SCHEMBL3401714

SCHEMBL3401714

N#Cc1ccccc1-c1cc[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
TRPA1 O75762 1/20 0.39
PTGES O14684 1/20 0.38
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
MCL1 Q07820 1/20 0.36
ATR Q13535 2/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
MAP2K1 Q02750 1/20 0.34

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
SCHEMBL30926124 1.00 ESR2 (0.42) ESR2SLC6A2SLC6A4KCNH2GABRG2
Hydrochloric Acid SCHEMBL30510206 0.98 ESR2 (0.41) ESR2SLC6A2SLC6A4KCNH2GABRG2
SCHEMBL18300977 0.83 MAP2K1 (0.41) ESR2SLC6A2SLC6A4KCNH2GABRG2
SCHEMBL945479 0.81
SCHEMBL7203838 0.80 MEN1 (0.39) SLC6A2SLC6A4KCNH2GABRG2GABRB3
SCHEMBL31402956 0.76 CHEK1 (0.34) PTGESMCL1
SCHEMBL30322087 0.76 PRMT5 (0.36) GABRG2GABRB3GABRA3USP8USP7
SCHEMBL28242325 0.76 PRMT5 (0.36) TSHRGAAUSP8USP7
SCHEMBL25830894 0.76 KDM4E (0.44) L3MBTL1USP8USP7
Hydrochloric Acid SCHEMBL25378498 0.75 KDM4E (0.43) SLC6A2SLC6A4USP8USP7

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594309-A1 AZOLE MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech Inc. (US) 2025-08-06 EP disclosed
WO-2025037054-A1 PROCESS FOR THE PREPARATION OF ANDROGEN RECEPTOR ANTAGONISTS AND INTERMEDIATES THEREOF ORION CORPORATION (FI) 2025-02-20 WO disclosed
WO-2024073662-A1 AZOLE MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2024-04-04 WO disclosed
CN-117736222-A MTA synergistic PRMT5 inhibitor compounds having tricyclic or tetracyclic ring structures 烨辉医药科技(上海)有限公司 2024-03-22 CN disclosed
CN-111788184-B Diaryl substituted 5, 5-fused ring compounds useful as C5aR inhibitors 凯莫森特里克斯股份有限公司 2023-12-22 CN disclosed
CN-110383066-B Compounds, compositions and methods 戴纳立制药公司 2023-03-31 CN disclosed
CN-110191884-A Substituted 6- (1H-pyrazol-1-yl) pyrimidine-4-amine derivatives and uses thereof 拜耳公司 2019-08-30 CN disclosed
CN-102596910-B Androgen receptor modulating compounds ORION CORP. (FI) 2015-11-25 CN disclosed
CN-105061313-A Androgen receptor modulating compounds ORION CORP 2015-11-18 CN disclosed
CN-103492372-B Regulate the Carbox amide of androgen receptor ORION CORP. (FI) 2015-09-30 CN disclosed
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed
EP-1799207-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
EP-1758861-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-03-07 EP disclosed
WO-2006044502-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2006-04-27 WO disclosed
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO disclosed
WO-1996001255-A1 3-(CYANOPHENYL)-PYRAZOLE DERIVATIVES AS HERBICIDES ZENECA LIMITED (GB) 1996-01-18 WO disclosed