SCHEMBL9528764

SCHEMBL9528764

COc1cc(OC)c2c3c([nH]c2c1)-c1ccccc1C3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.53
CA2 P00918 9/20 0.53
CA4 P22748 9/20 0.53
CA6 P23280 9/20 0.53
MAPK10 P53779 1/20 0.50
RIPK1 Q13546 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
PDE5A O76074 1/20 0.47
HIF1A Q16665 3/20 0.42
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
GSK3B P49841 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL2294178 0.78 CA1 (0.73) CA1CA2CA4CA6MAPK10
SCHEMBL8946305 0.76 CA1 (0.73) CA1CA2CA4CA6MAPK10
SCHEMBL8946827 0.75 CA1 (0.48) CA1CA2CA4CA6HIF1A
SCHEMBL9526355 0.72 CA1 (0.43) CA1CA2CA4CA6HIF1A
SCHEMBL9527337 0.72 CA1 (0.44) CA1CA2CA4CA6HIF1A
SCHEMBL8946893 0.71 CA1 (0.52) CA1CA2CA4CA6HIF1A
SCHEMBL12422155 0.71 CA1 (0.52) CA1CA2CA4CA6MAPK10
SCHEMBL1934980 0.70 ABCG2 (0.55) CA1CA2CA4CA6MAPK10
SCHEMBL10688063 0.70 ALDH1A1 (0.58) CA1CA2CA4CA6KDM4E
SCHEMBL9527328 0.69 CA1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed
WO-1990015800-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed