SCHEMBL7269358

SCHEMBL7269358

CC1CC(=O)c2cc(C#N)ccc2O1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.61
RORC P51449 1/20 0.41
ABCB1 P08183 7/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAP3K5 Q99683 1/20 0.40
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
CYP19A1 P11511 2/20 0.38
AR P10275 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CASP3 P42574 1/20 0.38
PTGS2 P35354 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MALT1 Q9UDY8 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
SCHEMBL8131503 0.78 RORC (0.39) PBRM1RORCABCB1CYP19A1AR
SCHEMBL3683723 0.78 PBRM1 (0.69) PBRM1TDP1BRD4CREBBPCYP19A1
SCHEMBL3681000 0.78 PBRM1 (0.69) PBRM1TDP1BRD4CREBBPCYP19A1
SCHEMBL8688431 0.78 TDP1 (0.51) PBRM1ABCB1TDP1CASP3RAB9A
SCHEMBL18013010 0.76 PBRM1 (1.00) PBRM1ABCB1TDP1BRD4CREBBP
SCHEMBL68075 0.76 PBRM1 (0.67) PBRM1ABCB1TDP1BRD4CREBBP
SCHEMBL2106757 0.76 PBRM1 (0.67) PBRM1TDP1BRD4CREBBPCYP19A1
SCHEMBL1984847 0.76 PBRM1 (0.67) PBRM1TDP1BRD4CREBBPCYP19A1
SCHEMBL10076980 0.76 PBRM1 (0.67) PBRM1ABCB1TDP1BRD4CREBBP
SCHEMBL31015961 0.76 PBRM1 (1.00) PBRM1ABCB1TDP1BRD4CREBBP

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-0346724-A1 Chroman derivates MERCK PATENT GmbH (DE) 1989-12-20 EP disclosed