SCHEMBL9304878

SCHEMBL9304878

COc1ccc2sc(C(CC(=O)S)C(=O)O)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 2/20 0.55
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
PPARA Q07869 4/20 0.54
DYRK1A Q13627 6/20 0.49
PKM P14618 2/20 0.47
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
AKR1C1 Q04828 1/20 0.43
PTGS1 P23219 1/20 0.43
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MAPT P10636 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
DYRK2 Q92630 1/20 0.41

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
SCHEMBL8972963 0.90 ATAD2 (0.49) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL8972523 0.84 DYRK1A (0.46) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL9304897 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL8972937 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1DYRK1A
SCHEMBL8973355 0.81 PPARA (0.50) SMN1; SMN2PPARAMAPT
SCHEMBL9443201 0.81 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL9306239 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL9304883 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL9443356 0.79 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1DYRK1A
SCHEMBL9305787 0.79 PPARA (0.57) NPC1RAB9ASMN1; SMN2TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
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
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 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