SCHEMBL27405488

SCHEMBL27405488

CCc1cccc(C(=O)OC(C)C)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
KAT6A Q92794 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 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
SCHEMBL7474110 0.96 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL12143438 0.92 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL27402068 0.84 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL27920137 0.83 LOXL2 (0.47) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL1799441 0.83 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL27425792 0.83 LOXL2 (0.64) RAB9ASMN1; SMN2MAPTCA12CA1
SCHEMBL27420028 0.82 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL27536387 0.82 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL20295092 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL27406895 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTHTT

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
CN-1232505-C Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 2005-12-21 CN disclosed
CN-1439631-A Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 2003-09-03 CN disclosed
CN-1105717-C Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 2003-04-16 CN disclosed
CN-1207099-A Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 1999-02-03 CN disclosed