SCHEMBL670354

SCHEMBL670354

O=C(O)c1cnc(Nc2ccccc2)nc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.72
HCAR3 P49019 1/20 0.64
GSK3B P49841 5/20 0.57
GSK3A P49840 4/20 0.57
RHOA P61586 1/20 0.57
HDAC3 O15379 5/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 5/20 0.55
AURKA O14965 4/20 0.54
AURKB Q96GD4 1/20 0.54
CAMK2D Q13557 1/20 0.53
CSNK2A1 P68400 2/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
MAPK8 P45983 2/20 0.48
CDC7 O00311 1/20 0.48
ALK Q9UM73 1/20 0.48

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
SCHEMBL30923165 0.86 HDAC6 (0.55) HDAC6HCAR3GSK3BGSK3AHDAC3
SCHEMBL2497628 0.86 HDAC6 (0.55) HDAC6HCAR3GSK3BGSK3AHDAC3
SCHEMBL4487993 0.85 HDAC6 (0.68) HDAC6HCAR3GSK3BGSK3ARHOA
SCHEMBL30923086 0.85 CAMK2D (0.56) HDAC6HCAR3GSK3BGSK3AHDAC3
SCHEMBL3698385 0.84 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2
SCHEMBL31141640 0.82 HDAC6 (0.73) HDAC6HCAR3GSK3BGSK3AHDAC3
SCHEMBL3634270 0.80 HDAC3 (0.74) HDAC6HDAC3HDAC1HDAC2AURKA
SCHEMBL12190155 0.79 HDAC6 (0.64) HDAC6AURKA
SCHEMBL30923190 0.79 HCAR3 (0.53) HDAC6HCAR3AURKB
SCHEMBL18713280 0.79 HDAC6 (0.68) HDAC6HCAR3GSK3BGSK3AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113463148-A Method for electroplating gold on surface of titanium or titanium alloy substrate 惠州市安泰普表面处理科技有限公司 2021-10-01 CN claimed
JP-3127790-A None JP disclosed
CN-113463148-A Method for electroplating gold on surface of titanium or titanium alloy substrate 惠州市安泰普表面处理科技有限公司 2021-10-01 CN disclosed
CN-113463148-A Method for electroplating gold on surface of titanium or titanium alloy substrate 惠州市安泰普表面处理科技有限公司 2021-10-01 CN disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
CN-1296346-C Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-24 CN disclosed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
CN-1491208-A Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical ������ҽҩ�¹����޹�˾ 2004-04-21 CN disclosed
JP-H03127790-A N-(1H-TETRAZOL-5-YL)-2-ANILINO-5-PYRIMIDINECARBOXAMIDES AND SYNTHETIC INTERMEDIATE THEREFOR MORISHITA PHARMACEUT CO LTD 1991-05-30 JP disclosed