SCHEMBL6164846

SCHEMBL6164846

CC1(C)CCc2c(c(-c3ccco3)nn2-c2ccc(Cl)nn2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EEF2K O00418 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31

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 0.84 SMN1; SMN2 (0.44) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6165092 0.84 CCNA2 (0.38) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6162224 0.84 CCNA2 (0.38) CCNA2CDK2RAB9ASMN1; SMN2EEF2K
SCHEMBL6163516 0.81 CCNA2 (0.41) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6166808 0.80 RAB9A (0.40) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6165545 0.80 CCNA2 (0.38) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6165282 0.79 CCNA2 (0.39) CCNA2CDK2RAB9ASMN1; SMN2
SCHEMBL6167319 0.77 RAB9A (0.38) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6177791 0.76 CCNA2 (0.43) CCNA2CDK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6165619 0.74 CCNA2 (0.37) CCNA2CDK2RAB9ASMN1; SMN2

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 2 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