SCHEMBL9305750

SCHEMBL9305750

CSc1cccc2sc(C(CC(=O)S)C(=O)O)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CASP6 P55212 1/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
STING1 Q86WV6 1/20 0.31
GRK6 P43250 1/20 0.31
DYRK1A Q13627 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL9305758 0.82 PKM (0.34) L3MBTL1GAAHPGDHSD17B10KMT2A
SCHEMBL8972078 0.81 POLB (0.34) POLBHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL8972769 0.81 GAA (0.45) L3MBTL1GAAHPGDKMT2AMEN1
SCHEMBL9305755 0.79 HPGD (0.31) HPGD
SCHEMBL9307532 0.79 LIPG (0.40) GAAHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL1041921 0.76 PKM (0.36) L3MBTL1GAAPOLBHPGDCYP1A2
SCHEMBL9443095 0.75 CD38 (0.37) L3MBTL1POLBHPGDHSD17B10KDM4E
SCHEMBL402775 0.75 HPGD (0.55) L3MBTL1POLBHPGDCYP1A2CYP2C9
Methylamine SCHEMBL10867351 0.74 HPGD (0.51) GAAHPGDCYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL7033471 0.74 HPGD (0.53) L3MBTL1POLBHPGDCYP1A2CYP2C9

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