SCHEMBL6166346

SCHEMBL6166346

CC(C)C1CC(=O)c2c(C(C)(C)C)nn(-c3ccc(Cl)nn3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
DHODH Q02127 1/20 0.34
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PANK3 Q9H999 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
OPRM1 P35372 1/20 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
SCHEMBL6166211 0.85 CCNA2 (0.50) CCNA2CDK2SMN1; SMN2RAB9ADHODH
SCHEMBL6164825 0.85 CCNA2 (0.40) CCNA2CDK2SMN1; SMN2RAB9AKMT2A
SCHEMBL6165262 0.84 CCNA2 (0.40) CCNA2CDK2SMN1; SMN2RAB9ADHODH
SCHEMBL6164167 0.84 CCNA2 (0.38) CCNA2CDK2SMN1; SMN2RAB9ADHODH
SCHEMBL6163771 0.83 CCNA2 (0.35) CCNA2CDK2SMN1; SMN2RAB9ADHODH
SCHEMBL6164556 0.83 CCNA2 (0.39) CCNA2CDK2SMN1; SMN2RAB9ADHODH
SCHEMBL6167886 0.81 CCNA2 (0.39) CCNA2CDK2SMN1; SMN2RAB9ADHODH
SCHEMBL6164779 0.79 SMN1; SMN2 (0.44) CCNA2CDK2SMN1; SMN2RAB9ADHODH
SCHEMBL7490727 0.79 L3MBTL1 (0.36) SMN1; SMN2DHODHKMT2AALDH1A1LMNA
SCHEMBL6167013 0.78 CCNA2 (0.42) CCNA2CDK2SMN1; SMN2RAB9AKMT2A

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