SCHEMBL9526355

SCHEMBL9526355

COc1ccc(C)c2[nH]c3c(c12)Cc1ccccc1-3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA4 P22748 8/20 0.43
CA6 P23280 8/20 0.43
HIF1A Q16665 3/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.39
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 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
SCHEMBL8946264 0.76 CA1 (0.43) CA1CA2CA4CA6HIF1A
SCHEMBL9531171 0.75 CA1 (0.40) CA1CA2CA4CA6MEN1
SCHEMBL9528764 0.72 CA1 (0.53) CA1CA2CA4CA6HIF1A
SCHEMBL8946893 0.72 CA1 (0.52) CA1CA2CA4CA6HIF1A
SCHEMBL9531330 0.72 CA1 (0.49) CA1CA2CA4CA6HIF1A
SCHEMBL8946827 0.71 CA1 (0.48) CA1CA2CA4CA6HIF1A
SCHEMBL8946637 0.68 CA1 (0.54) CA1CA2CA4CA6MAPT
SCHEMBL28340252 0.67 KDM4E (0.54) HIF1AKDM4EMEN1MAPTKMT2A
SCHEMBL23649412 0.66 CA1 (0.47) CA1CA2CA4CA6HIF1A
SCHEMBL29834173 0.66 CA1 (0.47) CA1CA2CA4CA6HIF1A

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