SCHEMBL9524525

SCHEMBL9524525

CC(=O)c1ccc2c(c1)C(c1ncccc1C)CC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL9527411 0.82 BRD4 (0.37) KDM4E
SCHEMBL9524511 0.80 TLR3 (0.39) RAB9A
SCHEMBL9527672 0.80 SMN1; SMN2 (0.36)
SCHEMBL9527965 0.77 KCNA5 (0.35) KDM4E
SCHEMBL9524902 0.73 ESR1 (0.42) KDM4E
SCHEMBL9523546 0.72 TGFBR1 (0.39) KDM4E
SCHEMBL9524652 0.72 KDM4E (0.35) KDM4E
SCHEMBL9527561 0.72 ABCC9 (0.39) RAB9A
SCHEMBL9524954 0.71 BRD4 (0.35) RAB9AKDM4E
SCHEMBL9524371 0.71 KDM4E (0.42) RAB9AKDM4E

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