SCHEMBL14847584

SCHEMBL14847584

COC(=O)c1cc(C#N)ccc1-c1c2ccc(=O)cc-2oc2cc(N=O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 4/20 0.47
▸ ATM Q13315 2/20 0.47
▸ CFTR P13569 1/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ GOPC Q9HD26 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ CA9 Q16790 11/20 0.36
▸ CA1 P00915 9/20 0.36
▸ CA2 P00918 9/20 0.36
▸ CA12 O43570 5/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ DNASE1L3 Q13609 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
SCHEMBL14768992 0.88 USP2 (0.56) USP2ATMCFTRPAX8GOPC
SCHEMBL14847591 0.85 ABCB1 (0.59) USP2ATMCFTRPAX8GOPC
SCHEMBL14847467 0.85 USP2 (0.48) USP2ATMCFTRPAX8GOPC
SCHEMBL14847470 0.84 ABCB1 (0.46) USP2ATMCFTRPAX8GOPC
SCHEMBL14847462 0.84 ABCB1 (0.48) USP2ATMCFTRPAX8GOPC
SCHEMBL14771584 0.81 USP2 (0.52) USP2ATMCFTRPAX8GOPC
SCHEMBL14847471 0.81 ABCB1 (0.46) USP2ATMCFTRPAX8GOPC
SCHEMBL14847509 0.79 ABCB1 (0.45) USP2ATMCFTRPAX8GOPC
SCHEMBL14847469 0.77 ABCB1 (0.43) USP2ATMCFTRPAX8GOPC
SCHEMBL15502020 0.75 USP2 (0.72) USP2ATML3MBTL1MEN1POLB

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-2578694-A1 FLUORESCENT SUBSTRATE FOR DETECTION OF ENZYMATIC ACTIVITY OF NITRILE-RELATED ENZYME Mitsubishi Rayon Co., Ltd. (JP) 2013-04-10 — — EP disclosed
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