SCHEMBL14192857

SCHEMBL14192857

CC/N=c1\ccc2c(-c3ccccc3C(=O)OC)c3ccc(N(C)C)cc3oc-2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.54
▸ USP2 O75604 1/20 0.52
▸ CFTR P13569 1/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ GOPC Q9HD26 1/20 0.52
▸ MEN1 O00255 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ P2RY6 Q15077 1/20 0.43
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ ITPR1 Q14643 1/20 0.37
▸ TGM2 P21980 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL15100480 0.92 ABCB1 (0.53) ABCB1USP2CFTRPAX8ATM
SCHEMBL14192859 0.92 ABCB1 (0.44) ABCB1USP2CFTRPAX8ATM
SCHEMBL14064053 0.90 MEN1 (0.48) ABCB1USP2CFTRPAX8ATM
SCHEMBL18637298 0.88 ABCB1 (0.56) ABCB1USP2CFTRPAX8ATM
SCHEMBL22851948 0.84 MAOB (0.45) ABCB1USP2CFTRPAX8ATM
Rhodamine Ii SCHEMBL30320900 0.83 MEN1 (0.64) ABCB1USP2CFTRPAX8ATM
Rhodamine Ii SCHEMBL12310066 0.83 MEN1 (0.64) ABCB1USP2CFTRPAX8ATM
SCHEMBL13660291 0.83 MEN1 (0.46) ABCB1USP2CFTRPAX8ATM
SCHEMBL14077551 0.83 MEN1 (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL15100483 0.81 TGM2 (0.42) ABCB1USP2CFTRPAX8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623649-B2 Method of selecting a cardiomyoctye using intracellular mitochondria as an indicator DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-07 — — US disclosed
US-20080090266-A1 Method of Selecting a Cardiomyoctye Using Intracellular Mitochondria as an Indicator ASUBIO PHARMA CO.,LTD (JP) 2008-04-17 — — US disclosed
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