SCHEMBL9859607

SCHEMBL9859607

Nc1cccc(C(=O)c2ccccc2)c1Oc1ccc(Oc2c(N)cccc2C(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
GAA P10253 1/20 0.61
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
AKR1C3 P42330 1/20 0.46
POLB P06746 2/20 0.45
SRD5A2 P31213 1/20 0.45
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43
BAD Q92934 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PBRM1 Q86U86 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL27737105 0.97 MAPT (0.61) MAPTGAACCNE2CCNE1CDK2
SCHEMBL7542589 0.88 CTNNB1 (0.47) MAPTGAACCNE2CCNE1CDK2
SCHEMBL10390477 0.88 AKR1C3 (0.60) MAPTGAAAKR1C3POLBSRD5A2
SCHEMBL28482644 0.87 CTNNB1 (0.46) MAPTGAACCNE2CCNE1CDK2
SCHEMBL31372448 0.87 CTNNB1 (0.46) MAPTGAACCNE2CCNE1CDK2
SCHEMBL310144 0.85 PBRM1 (0.50) MAPTGAAPOLBMCL1ALDH1A1
SCHEMBL8586971 0.84 MAPT (0.46) MAPTGAACCNE2CCNE1CDK2
SCHEMBL21808151 0.84 MAPT (0.51) MAPTGAACCNE2CCNE1CDK2
SCHEMBL9063955 0.82 POLB (0.50) MAPTGAACCNE2CCNE1CDK2
SCHEMBL8974224 0.82 CTNNB1 (0.46) MAPTGAACCNE2CCNE1CDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026872-A Intermediates, curing agents for polyepoxides AMERICAN CYANAMID (US) 1991-06-25 US disclosed