SCHEMBL9526530

SCHEMBL9526530

Clc1cccc2c3c([nH]c12)-c1ccccc1C3

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.63
CDK1 P06493 4/20 0.63
CCNB1 P14635 4/20 0.63
GSK3B P49841 4/20 0.63
CDK5 Q00535 4/20 0.63
CDK5R1 Q15078 4/20 0.63
CCNB3 Q8WWL7 4/20 0.63
CA1 P00915 9/20 0.61
CA2 P00918 9/20 0.61
CA4 P22748 9/20 0.61
CA6 P23280 9/20 0.61
DYRK1A Q13627 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PARP1 P09874 2/20 0.40
EIF2AK1 Q9BQI3 1/20 0.40

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
SCHEMBL8946616 0.78 CA1 (0.56) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL5688473 0.77 CCNB2 (1.00) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL29370925 0.76 CA1 (1.00) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL2298597 0.76 CA1 (1.00) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL9531089 0.74 CA1 (0.71) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL20397369 0.73 CA1 (0.54) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL14447191 0.72 CA1 (0.53) CDK1CDK5CA1CA2CA4
SCHEMBL2763222 0.72 PARP1 (0.70) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL29639976 0.72 CA1 (0.49) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL3284763 0.70 PNMT (0.53) CA1CA2CA4CA6EIF2AK1

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