SCHEMBL18669166

SCHEMBL18669166

Nc1cc(N)c(C(=O)O)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.58
CYP3A4 P08684 1/20 0.50
IDO1 P14902 1/20 0.50
KDM4E B2RXH2 5/20 0.48
KMT2A Q03164 3/20 0.48
GFER P55789 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 7/20 0.47
POLB P06746 4/20 0.47
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL3031603 0.88 CYP3A4 (0.52) SLC9A1CYP3A4IDO1KDM4EKMT2A
SCHEMBL31277421 0.86 ALDH1A1 (0.51) SLC9A1CYP3A4IDO1KDM4EKMT2A
SCHEMBL16539867 0.86 GAA (0.55) SLC9A1CYP3A4IDO1KDM4EKMT2A
SCHEMBL2901097 0.86 ALDH1A1 (0.51) SLC9A1CYP3A4IDO1KDM4EKMT2A
SCHEMBL1553594 0.83 IDO1 (0.60) CYP3A4IDO1KDM4EKMT2AGFER
SCHEMBL6584376 0.83 ALDH1A1 (0.48) SLC9A1CYP3A4KDM4EKMT2AGFER
SCHEMBL612667 0.82 CA12 (0.55) SLC9A1CYP3A4IDO1KDM4EKMT2A
SCHEMBL10915062 0.81 POLB (0.47) SLC9A1CYP3A4KDM4EKMT2AGFER
SCHEMBL5533149 0.81 CD44 (0.56) SLC9A1CYP3A4IDO1KDM4EKMT2A
SCHEMBL7023673 0.81 KDM4E (0.50) SLC9A1CYP3A4IDO1KDM4EKMT2A

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
WO-2017050994-A1 DYE COMPOSITION USING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE PARTICULAR AMINOBENZENE COUPLER, PROCESSES AND DEVICE L'OREAL (FR) 2017-03-30 WO disclosed
WO-2017050994-A1 DYE COMPOSITION USING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE PARTICULAR AMINOBENZENE COUPLER, PROCESSES AND DEVICE L'OREAL (FR) 2017-03-30 WO disclosed