SCHEMBL9306659

SCHEMBL9306659

N#Cc1ccc2sc(C(CC(=O)S)C(=O)O)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.38
DYRK1A Q13627 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PIN1 Q13526 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FOLH1 Q04609 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
CETP P11597 2/20 0.33
POLB P06746 1/20 0.33
LIPC P11150 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL9306671 0.82 PPARA (0.46) PPARASMN1; SMN2DYRK1AMEN1MAPT
SCHEMBL8972937 0.81 NPC1 (0.54) SMN1; SMN2DYRK1AMEN1MAPTKMT2A
SCHEMBL8973355 0.81 PPARA (0.50) PPARASMN1; SMN2MEN1MAPTKMT2A
SCHEMBL8972523 0.81 DYRK1A (0.46) PPARASMN1; SMN2DYRK1AMAPTCYP1A2
SCHEMBL9306663 0.79 PPARA (0.43) PPARASMN1; SMN2DYRK1AMEN1MAPT
SCHEMBL9443356 0.79 NPC1 (0.42) SMN1; SMN2DYRK1AKMT2ACYP1A2CYP2C9
SCHEMBL9443201 0.78 ALDH1A1 (0.41) PPARASMN1; SMN2MEN1MAPTKMT2A
SCHEMBL9304878 0.78 NPC1 (0.55) PPARASMN1; SMN2DYRK1AMAPTNPC1
SCHEMBL9305844 0.78 DYRK1A (0.48) DYRK1A
SCHEMBL402775 0.78 HPGD (0.55) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9

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