SCHEMBL1754935

SCHEMBL1754935

CC(=O)Cc1ccc(CC[C@H]2CC[C@@H](Oc3ccc4cnccc4c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.46
PRKCZ Q05513 1/20 0.45
ROCK1 Q13464 3/20 0.43
ROCK2 O75116 1/20 0.42
PRMT3 O60678 3/20 0.39
CYP19A1 P11511 3/20 0.38
CHUK O15111 1/20 0.37
ACACB O00763 2/20 0.36
ACACA Q13085 1/20 0.36
NAMPT P43490 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
CYP3A4 P08684 1/20 0.35
ABL1 P00519 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
SCHEMBL1754933 0.84 ROCK1 (0.57) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1754919 0.82 ROCK1 (0.53) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1754929 0.78 LMNA (0.43) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705714 0.74 IKBKB (0.54) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705260 0.74 IKBKB (0.54) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705061 0.74 IKBKB (0.53) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL2335181 0.74 IKBKB (0.53) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL1705060 0.74 IKBKB (0.53) IKBKBPRKCZROCK1ROCK2PRMT3
SCHEMBL19002700 0.73 CYP19A1 (0.48) ROCK1ROCK2PRMT3CYP19A1
SCHEMBL1705154 0.73 PRMT3 (0.50) IKBKBPRKCZROCK1ROCK2PRMT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 EP disclosed