SCHEMBL9307532

SCHEMBL9307532

O=C(S)CC(C(=O)O)c1nc2c(-c3ccccc3)cccc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.40
RET P07949 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
KMT2A Q03164 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
CNR2 P34972 3/20 0.34
ENPP1 P22413 1/20 0.33
CTSA P10619 4/20 0.33
SLC9A1 P19634 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8972769 0.82 GAA (0.45) KMT2AHPGDALDH1A1GAAMAPT
SCHEMBL9307552 0.81 LIPG (0.40) LIPGRETFLT1KDRMAPK14
SCHEMBL8972078 0.80 POLB (0.34) KMT2ACYP1A2CYP2C9HPGDCYP2C19
SCHEMBL9305750 0.79 L3MBTL1 (0.32) KMT2ACYP1A2CYP2C9HPGDCYP2C19
SCHEMBL9443095 0.79 CD38 (0.37) HPGDHSD17B10ALDH1A1
SCHEMBL402775 0.79 HPGD (0.55) KMT2ACYP1A2CYP2C9HPGDCYP2C19
SCHEMBL9307538 0.79 LIPG (0.37) LIPGRETFLT1KDRMAPK14
Ammonia Solution, Strong SCHEMBL7033471 0.78 HPGD (0.53) KMT2ACYP1A2CYP2C9HPGDCYP2C19
SCHEMBL1041921 0.76 PKM (0.36) KMT2ACYP1A2CYP2C9HPGDCYP2C19
Methylamine SCHEMBL10867351 0.75 HPGD (0.51) KMT2ACYP1A2CYP2C9HPGDCYP2C19

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