SCHEMBL5700263

SCHEMBL5700263

CS(=O)(=O)c1ccc(C(=O)c2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
HSD17B14 Q9BPX1 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PTGS2 P35354 2/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS1 P23219 1/20 0.47
LMNA P02545 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4957779 0.80 PTGS2 (0.57) KMT2AALDH1A1PTGS2CES2CES1
SCHEMBL743166 0.80 KMT2A (0.72) KMT2AHSD17B14ALDH1A1PTGS2CES2
SCHEMBL29485021 0.80 KMT2A (0.72) KMT2AHSD17B14ALDH1A1PTGS2CES2
SCHEMBL29373829 0.79 KMT2A (1.00) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL398165 0.79 KMT2A (1.00) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL15408951 0.78 NPC1 (0.74) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27809961 0.78 KMT2A (0.82) KMT2AHSD17B14ALDH1A1PTGS2CES2
SCHEMBL13600090 0.78 KMT2A (0.81) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL2485773 0.78 KMT2A (0.75) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL29571462 0.78 KMT2A (0.75) KMT2AHSD17B14ALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
CN-1221534-C Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2005-10-05 CN disclosed
CN-1434801-A Substited 8-anylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2003-08-06 CN disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP disclosed