SCHEMBL7467749

SCHEMBL7467749

CC(C)OC(=O)c1cccc(Br)c1.O=S(=O)(O)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.44

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
SCHEMBL27402068 0.95 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL4514092 0.91 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL7475357 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL7474110 0.84 NPC1 (0.48) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL7468235 0.84 ELANE (0.52) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL7472745 0.83 POLB (0.53) SMN1; SMN2NPC1RAB9AMAPTCA12
SCHEMBL7475311 0.82 NPC1 (0.49) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL27420028 0.82 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL7467896 0.81 ELANE (0.54) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL7472353 0.81 KDM4E (0.56) SMN1; SMN2NPC1RAB9ACA12CA1

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-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed