SCHEMBL9304897

SCHEMBL9304897

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
PKM P14618 2/20 0.51
PPARA Q07869 4/20 0.50
DYRK1A Q13627 10/20 0.48
AKR1B1 P15121 1/20 0.44
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL8973017 0.91 PKM (0.51) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL9304883 0.90 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL8972535 0.84 DYRK1A (0.45) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL9304878 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL8972967 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL8973369 0.81 HDAC6 (0.55) SMN1; SMN2PPARAAKR1B1
SCHEMBL9443212 0.81 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL8972966 0.81 CYP1A2 (0.48) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL9306251 0.80 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL9443373 0.80 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1PKM

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