SCHEMBL9524616

SCHEMBL9524616

CC(=O)c1ccc2c(c1)C(c1ccccn1)=CC(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
S100A4 P26447 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 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
SCHEMBL9525024 0.77 RARA (0.41) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL9524878 0.74 SYK (0.39) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL6784811 0.72 BRD4 (0.50) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL12366131 0.71 DHODH (0.38) KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL12366169 0.71 TDP1 (0.38) KMT2AMEN1SMN1; SMN2
SCHEMBL12365222 0.71 TDP1 (0.44) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL27362326 0.70 SYK (0.41) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL12366157 0.69 ALOX15 (0.43) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12366126 0.69 ALOX15 (0.45) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12366167 0.68 TDP1 (0.42) KDM4EALDH1A1KDM6BKDM4AKDM5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298452-B1 2H-1-BENZOPYRANE DERIVATIVES SUBSTITUTED IN POSITION 4 BY ARYL OR N-HETEROARYL F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP disclosed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 US disclosed
EP-0298452-A2 2H-1-benzopyrane derivatives substituted in position 4 by aryl or N-heteroaryl F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed