SCHEMBL7186898

SCHEMBL7186898

CS(=O)(=O)c1ccccc1-n1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
CYP3A4 P08684 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
PMP22 Q01453 1/20 0.49
GAA P10253 1/20 0.46
FBP1 P09467 1/20 0.46
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL6447916 0.83 IDO1 (0.57) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL10592832 0.83 IDO1 (0.57) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL28767739 0.78 DRD2 (0.50) LMNAKMT2AALDH1A1MAPTMAPK1
SCHEMBL16382293 0.78 IDO1 (0.73) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL31408101 0.78 IDO1 (0.73) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL8586698 0.76 IDO1 (0.49) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL27847379 0.75 IDO1 (0.41) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL27828854 0.74 CYP3A4 (0.41) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL27828853 0.74 IDO1 (0.40) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL27847380 0.74 IDO1 (0.40) IDO1CYP3A4CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910175-A N-phenylimidazo [1,2-a ] pyridine-2-carboxamide compounds, preparation and therapeutic use thereof SANOFI AVENTIS 2010-12-08 CN claimed
EP-1435956-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS Pharmacia Corporation (US) 2004-07-14 EP claimed
WO-2002078626-A2 THERAPEUTIC COMBINATIONS FOR CARDIOVASCULAR AND INFLAMMATORY INDICATIONS PHARMACIA CORPORATION (US) 2002-10-10 WO claimed
CN-101910175-A N-phenylimidazo [1,2-a ] pyridine-2-carboxamide compounds, preparation and therapeutic use thereof SANOFI AVENTIS 2010-12-08 CN disclosed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed