SCHEMBL9443201

SCHEMBL9443201

CN(C)c1ccc2sc(C(CC(=O)S)C(=O)O)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36
APP P05067 2/20 0.36
TERT O14746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PPARA Q07869 8/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8972523 0.84 DYRK1A (0.46) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL9443212 0.82 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL9304734 0.81 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL8972937 0.81 NPC1 (0.54) ALDH1A1GAAL3MBTL1NPC1RAB9A
SCHEMBL8973355 0.81 PPARA (0.50) MAPTSMN1; SMN2PPARAHSD17B10MEN1
SCHEMBL9304878 0.81 NPC1 (0.55) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL9443205 0.79 HPGD (0.46) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9443356 0.79 NPC1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9443203 0.79 APP (0.36) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL9443179 0.79 THRB (0.45) NPC1RAB9ASMN1; SMN2TRPV1

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-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed