SCHEMBL9524878

SCHEMBL9524878

CC(=O)c1ccc2c(c1)C(c1ccccn1)=CC(C)(c1ccccc1)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.39
AURKB Q96GD4 2/20 0.39
INCENP Q9NQS7 2/20 0.39
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5C P41229 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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 0.86 RARA (0.41) SYKAURKBINCENPBRD4BRD2
SCHEMBL9524854 0.80 RARA (0.48) KDM4EKDM4CKDM6BKDM4AKDM5C
SCHEMBL9525691 0.77 ABCC9 (0.39) KDM4EALDH1A1KMT2AMEN1S100A4
SCHEMBL27362326 0.75 SYK (0.41) SYKAURKBINCENPBRD4BRD2
SCHEMBL9525543 0.75 TGFBR1 (0.41) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL9524616 0.74 SYK (0.40) SYKAURKBINCENPBRD4BRD2
SCHEMBL9524858 0.70 MAPT (0.37) KDM4EKDM4CKDM6BKDM4AKDM5C
SCHEMBL9476028 0.68 KDM4C (0.47) SYKAURKBINCENPKDM4EKDM4C
SCHEMBL9527612 0.68 NPC1 (0.44) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6784811 0.68 BRD4 (0.50) SYKAURKBINCENPBRD4BRD2

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