SCHEMBL9531330

SCHEMBL9531330

COc1c(C)cc2c3c([nH]c2c1C)-c1ccccc1C3

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.49
CA2 P00918 12/20 0.49
CA4 P22748 12/20 0.49
CA6 P23280 12/20 0.49
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
GSK3B P49841 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
HIF1A Q16665 3/20 0.37
PARP1 P09874 2/20 0.36

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
SCHEMBL9530865 0.83 CA1 (0.50) CA1CA2CA4CA6CCNB2
SCHEMBL8946893 0.82 CA1 (0.52) CA1CA2CA4CA6CCNB2
SCHEMBL8946827 0.81 CA1 (0.48) CA1CA2CA4CA6CCNB2
SCHEMBL9527460 0.79 DRD1 (0.34) CA1CA2CA4CA6
SCHEMBL8946637 0.78 CA1 (0.54) CA1CA2CA4CA6CCNB2
SCHEMBL10381644 0.77 CA1 (0.41) CA1CA2CA4CA6CCNB2
SCHEMBL8946264 0.77 CA1 (0.43) CA1CA2CA4CA6CDK1
SCHEMBL9531452 0.73 CA1 (0.49) CA1CA2CA4CA6CCNB2
SCHEMBL9526355 0.72 CA1 (0.43) CA1CA2CA4CA6CCNB2
SCHEMBL8946555 0.72 CA1 (0.60) 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 2 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