SCHEMBL8946292

SCHEMBL8946292

Fc1ccc2[nH]c3c(c2c1)Cc1ccccc1-3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.71
CA2 P00918 11/20 0.71
CA4 P22748 11/20 0.71
CA6 P23280 11/20 0.71
GSK3B P49841 3/20 0.64
CDK5 Q00535 3/20 0.64
CDK5R1 Q15078 3/20 0.64
CCNB2 O95067 2/20 0.64
CDK1 P06493 2/20 0.64
CCNB1 P14635 2/20 0.64
CCNB3 Q8WWL7 2/20 0.64
PARP1 P09874 2/20 0.58
GSK3A P49840 2/20 0.49
MAPK10 P53779 1/20 0.47
RIPK1 Q13546 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2299152 0.88 CA1 (0.71) CA1CA2CA4CA6GSK3B
SCHEMBL2296063 0.83 CA1 (0.83) CA1CA2CA4CA6GSK3B
SCHEMBL29370925 0.82 CA1 (1.00) CA1CA2CA4CA6GSK3B
SCHEMBL2298597 0.82 CA1 (1.00) CA1CA2CA4CA6GSK3B
SCHEMBL15759621 0.82 CDK1 (0.72) CA1CA2CA4CA6GSK3B
SCHEMBL19353002 0.82 CA1 (0.69) CA1CA2CA4CA6GSK3B
SCHEMBL30251048 0.82 CA1 (0.69) CA1CA2CA4CA6GSK3B
SCHEMBL4627835 0.82 CA1 (0.69) CA1CA2CA4CA6GSK3B
SCHEMBL1985970 0.78 GSK3B (0.53) CA1CA2CA4CA6GSK3B
SCHEMBL8946305 0.78 CA1 (0.73) CA1CA2CA4CA6GSK3B

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