SCHEMBL9527732

SCHEMBL9527732

CC1(C)C=C(c2cccc[n+]2[O-])c2cc(Br)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
AHR P35869 1/20 0.30

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
SCHEMBL9525790 0.86 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8RARA
SCHEMBL8335425 0.84 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8312815 0.83 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6369348 0.82 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9525002 0.82 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9527906 0.81 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8RARA
SCHEMBL8795283 0.79 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8796317 0.79 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8795157 0.78 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9523802 0.78 RARA (0.40) ABCC9ABCC8KCNJ11KCNJ8RARA

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 3 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 claimed
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