SCHEMBL9524618

SCHEMBL9524618

Cc1ccc(C2CC(C)(C)Oc3ccc(C#N)cc32)nc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.41
ABCC9 O60706 7/20 0.38
KDM4E B2RXH2 1/20 0.37
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
SIRT2 Q8IXJ6 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
SCHEMBL9525156 0.88 ABCB1 (0.38) ABCB1ABCC9KDM4EABCC8KCNJ11
SCHEMBL9524383 0.88 ABCC9 (0.43) ABCB1ABCC9ABCC8KCNJ11
SCHEMBL9525734 0.85 KDM4E (0.37) ABCB1ABCC9KDM4EABCC8KCNJ11
SCHEMBL9525659 0.85 ABCC9 (0.44) ABCB1ABCC9
SCHEMBL9525644 0.84 ABCC9 (0.40) ABCB1ABCC9KDM4EABCC8KCNJ11
SCHEMBL9524429 0.84 ABCC9 (0.44) ABCB1ABCC9KDM4EABCC8KCNJ11
SCHEMBL8967989 0.83 ABCC9 (0.43) ABCB1ABCC9KDM4ESIRT2
SCHEMBL8338287 0.83 ABCC9 (0.43) ABCB1ABCC9KDM4ESIRT2
SCHEMBL9524678 0.82 ABCC9 (0.45) ABCB1ABCC9KDM4ESIRT2
SCHEMBL9524801 0.79 ABCC9 (0.45) ABCB1ABCC9ABCC8KCNJ11KCNJ8

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