SCHEMBL6166808

SCHEMBL6166808

CC1(C)CCc2c(c(-c3ccccc3F)nn2-c2ccc(Cl)nn2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.32
DHODH Q02127 1/20 0.31
MAPT P10636 2/20 0.30

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
SCHEMBL6164065 0.86 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2CCNA2CDK2ALDH1A1
SCHEMBL6162683 0.84 CCNA2 (0.38) RAB9ASMN1; SMN2CCNA2CDK2ALDH1A1
SCHEMBL6163516 0.81 CCNA2 (0.41) RAB9ASMN1; SMN2CCNA2CDK2ALDH1A1
SCHEMBL6165092 0.80 CCNA2 (0.38) RAB9ASMN1; SMN2CCNA2CDK2ALDH1A1
SCHEMBL6164846 0.80 CCNA2 (0.38) RAB9ASMN1; SMN2CCNA2CDK2ALDH1A1
SCHEMBL6167319 0.79 RAB9A (0.38) RAB9ASMN1; SMN2CCNA2CDK2ALDH1A1
SCHEMBL6177791 0.76 CCNA2 (0.43) RAB9ASMN1; SMN2CCNA2CDK2ALDH1A1
SCHEMBL6164821 0.74 CYP1A2 (0.43) RAB9ASMN1; SMN2CCNA2CDK2ALDH1A1
SCHEMBL6163459 0.73 HDAC9 (0.35) ALDH1A1KDM4EDHODH
SCHEMBL6167555 0.71 CCNA2 (0.39) RAB9ASMN1; SMN2CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed
EP-1177185-A1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2002-02-06 EP disclosed
WO-2000069846-A1 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-23 WO disclosed