SCHEMBL9527411

SCHEMBL9527411

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL9524902 0.91 ESR1 (0.42) BRD4SMN1; SMN2KDM4ECTNNB1WNT3A
SCHEMBL9523546 0.90 TGFBR1 (0.39) BRD4SMN1; SMN2KDM4ECTNNB1WNT3A
SCHEMBL9527561 0.89 ABCC9 (0.39) BRD4SMN1; SMN2CTNNB1WNT3A
SCHEMBL9524954 0.88 BRD4 (0.35) BRD4SMN1; SMN2KDM4ECTNNB1WNT3A
SCHEMBL9524371 0.88 KDM4E (0.42) BRD4SMN1; SMN2KDM4E
SCHEMBL9628082 0.86 ABCC9 (0.34) BRD4SMN1; SMN2CTNNB1WNT3ATRPV1
SCHEMBL9627698 0.84 BRD4 (0.37) BRD4SMN1; SMN2CTNNB1WNT3ATRPV1
SCHEMBL9628191 0.84 ABCC9 (0.33) BRD4SMN1; SMN2CTNNB1WNT3ATRPV1
SCHEMBL9527983 0.84 TLR3 (0.40) SMN1; SMN2KDM4E
SCHEMBL9524525 0.82 RAB9A (0.36) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1030582-A 1-benzopyran derivatives HOFFMANN LA ROCHE (CH) 1989-01-25 CN claimed
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