SCHEMBL9531089

SCHEMBL9531089

Clc1ccc2c3c([nH]c2c1)-c1ccccc1C3

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.71
CA2 P00918 12/20 0.71
CA4 P22748 12/20 0.71
CA6 P23280 12/20 0.71
CCNB2 O95067 3/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
CDK5 Q00535 3/20 0.50
CDK5R1 Q15078 3/20 0.50
CCNB3 Q8WWL7 3/20 0.50
GSK3B P49841 2/20 0.50
ACHE P22303 1/20 0.47
MAPK10 P53779 1/20 0.47
RIPK1 Q13546 1/20 0.47
MDH2 P40926 1/20 0.44

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
SCHEMBL2298597 0.82 CA1 (1.00) CA1CA2CA4CA6CCNB2
SCHEMBL29370925 0.82 CA1 (1.00) CA1CA2CA4CA6CCNB2
SCHEMBL12382594 0.82 CA1 (0.69) CA1CA2CA4CA6CCNB2
SCHEMBL2299152 0.82 CA1 (0.71) CA1CA2CA4CA6CCNB2
SCHEMBL2294178 0.78 CA1 (0.73) CA1CA2CA4CA6CCNB2
SCHEMBL22250400 0.75 CA1 (0.43) CA1CA2CA4CA6ACHE
SCHEMBL28217847 0.74 CA1 (0.47) CA1CA2CA4CA6CCNB2
SCHEMBL9526530 0.74 CCNB2 (0.63) CA1CA2CA4CA6CCNB2
SCHEMBL19353002 0.73 CA1 (0.69) CA1CA2CA4CA6CCNB2
SCHEMBL15759621 0.73 CDK1 (0.72) 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
WO-1990015800-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed