SCHEMBL7104581

SCHEMBL7104581

CCOC(=O)CNc1ccc(CCBr)c(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
GPR35 Q9HC97 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPID Q08752 1/20 0.35
ELANE P08246 1/20 0.35
TRPA1 O75762 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
SCHEMBL7107066 0.80 L3MBTL1 (0.42) LMNAHTTKDM4EPOLBALDH1A1
SCHEMBL7110289 0.79 LMNA (0.44) LMNAHTTKDM4EPOLBALDH1A1
SCHEMBL7103648 0.79 POLB (0.46) HTTKDM4EPOLBALDH1A1HPGD
SCHEMBL7103433 0.79 L3MBTL1 (0.41) LMNAHTTKDM4EPOLBALDH1A1
SCHEMBL7107441 0.77 LMNA (0.41) LMNAKDM4EPOLBALDH1A1HPGD
SCHEMBL7103144 0.75 LMNA (0.44) LMNAPOLBALDH1A1HPGDMAPT
SCHEMBL7107215 0.74 LMNA (0.44) LMNAPOLBALDH1A1HPGDMAPT
SCHEMBL7106402 0.74 ADRB3 (0.55) LMNACYP2D6
SCHEMBL7106394 0.74 ADRB3 (0.55) LMNACYP2D6
SCHEMBL7102017 0.71 POLB (0.56) LMNAHTTKDM4EPOLBALDH1A1

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