SCHEMBL20192210

SCHEMBL20192210

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)OC)c3ccc([O-])cc3oc-2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.55
▸ USP2 O75604 2/20 0.54
▸ CFTR P13569 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ GOPC Q9HD26 1/20 0.54
▸ MEN1 O00255 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ TGM2 P21980 1/20 0.42
▸ FPR2 P25090 4/20 0.41
▸ P2RY6 Q15077 1/20 0.39
▸ CHRM1 P11229 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ RECQL P46063 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
SCHEMBL18637090 0.90 ABCB1 (0.56) ABCB1USP2CFTRPAX8ATM
SCHEMBL9007850 0.86 USP2 (0.59) ABCB1USP2CFTRPAX8ATM
SCHEMBL20192151 0.81 MEN1 (0.45) ABCB1USP2CFTRPAX8ATM
SCHEMBL19494783 0.81 ABCB1 (0.46) ABCB1USP2CFTRPAX8ATM
SCHEMBL19494880 0.80 ABCB1 (0.45) ABCB1USP2CFTRPAX8ATM
SCHEMBL17109310 0.80 ABCB1 (0.44) ABCB1USP2CFTRPAX8ATM
SCHEMBL17109312 0.79 FPR2 (0.46) ABCB1USP2CFTRPAX8ATM
SCHEMBL14046505 0.79 ABCB1 (0.55) ABCB1USP2CFTRPAX8ATM
SCHEMBL19494774 0.79 USP2 (0.53) ABCB1USP2CFTRPAX8ATM
SCHEMBL12763951 0.79 POLB (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981934-B2 Enzyme-specific fluorescent compound capable of being retained in cells THE UNIVERSITY OF TOKYO (JP) 2018-05-29 — — US disclosed
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