SCHEMBL7103561

SCHEMBL7103561

CCOC(=O)CNc1c(Cl)cc(CCBr)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NLRP3 Q96P20 2/20 0.38
ABCB1 P08183 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PPID Q08752 1/20 0.36
TRPA1 O75762 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 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
SCHEMBL7107961 0.87 CYP4F2 (0.48) L3MBTL1SMN1; SMN2TSHRCYP4F2CYP4A11
SCHEMBL7105502 0.84 GAA (0.38) L3MBTL1SMN1; SMN2TSHRCYP4F2CYP4A11
SCHEMBL7103146 0.84 TOP2A (0.47) SMN1; SMN2TSHRCYP4F2CYP4A11KDM4E
SCHEMBL7103433 0.83 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2CYP4F2CYP4A11HTT
SCHEMBL7110289 0.83 LMNA (0.44) L3MBTL1SMN1; SMN2TSHRCYP4F2CYP4A11
SCHEMBL7107186 0.80 MAT2A (0.32) TSHRHTTKDM4EGAAALDH1A1
SCHEMBL7107066 0.76 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2CYP4F2CYP4A11HTT
SCHEMBL7102017 0.75 POLB (0.56) L3MBTL1SMN1; SMN2TSHRCYP4F2CYP4A11
SCHEMBL7103171 0.75 CA12 (0.40) L3MBTL1SMN1; SMN2TSHRCYP4F2CYP4A11
SCHEMBL9832125 0.75 ABCB1 (0.47) L3MBTL1SMN1; SMN2HTTKDM4ENLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043308-B1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2003-09-24 EP disclosed
US-6353025-B1 COMPOUNDS AS DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed