SCHEMBL8946616

SCHEMBL8946616

CC(C)c1cccc2c3c([nH]c12)-c1ccccc1C3

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.56
CA2 P00918 11/20 0.56
CA4 P22748 11/20 0.56
CA6 P23280 11/20 0.56
CCNB2 O95067 4/20 0.43
CDK1 P06493 4/20 0.43
CCNB1 P14635 4/20 0.43
GSK3B P49841 4/20 0.43
CDK5 Q00535 4/20 0.43
CDK5R1 Q15078 4/20 0.43
CCNB3 Q8WWL7 4/20 0.43
PARP1 P09874 2/20 0.38

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
SCHEMBL9531452 0.79 CA1 (0.49) CA1CA2CA4CA6CCNB2
SCHEMBL9526530 0.78 CCNB2 (0.63) CA1CA2CA4CA6CCNB2
SCHEMBL8946744 0.73 CA1 (0.63) CA1CA2CA4CA6CCNB2
SCHEMBL29370925 0.73 CA1 (1.00) CA1CA2CA4CA6CCNB2
SCHEMBL2298597 0.73 CA1 (1.00) CA1CA2CA4CA6CCNB2
SCHEMBL29617348 0.73 PNMT (0.49) CA1CA2CA4CA6
SCHEMBL6672847 0.73 PNMT (0.49) CA1CA2CA4CA6
SCHEMBL29639976 0.71 CA1 (0.49) CA1CA2CA4CA6CCNB2
SCHEMBL27339103 0.70 GABRA1 (0.46) CA1CA2
SCHEMBL8946637 0.70 CA1 (0.54) CA1CA2CA4CA6CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed
WO-1990015800-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed