SCHEMBL10072754

SCHEMBL10072754

CNS(=O)(=O)/C=C/c1ccc(CC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.41
CHRM1 P11229 1/20 0.41
PDE4A P27815 1/20 0.41
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL688894 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL687786 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688328 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL687788 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688329 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688973 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688975 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688974 0.79 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688439 0.79 MEN1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL10072758 0.79 MEN1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed