SCHEMBL9443249

SCHEMBL9443249

O=C(S)CC(C(=O)O)c1nc2ccc(N(c3ccccc3)c3ccccc3)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.37
LIPG Q9Y5X9 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL9443260 0.83 PKM (0.38) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL402775 0.81 HPGD (0.55) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL9443255 0.80 HPGD (0.35) HPGDCYP1A2CYP2C9CYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL7033471 0.80 HPGD (0.53) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL8972395 0.80 RAB9A (0.48) HPGDCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8972421 0.79 DYRK1A (0.45) GAASMN1; SMN2NPC1RAB9ACASP3
SCHEMBL8973268 0.79 MEN1 (0.44) HPGDHSD17B10GAALIPGSMN1; SMN2
Methylamine SCHEMBL10867351 0.78 HPGD (0.51) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL9304734 0.77 ALDH1A1 (0.51) HPGDHIF1AHSD17B10GAALIPG
SCHEMBL9305787 0.77 PPARA (0.57) HPGDHIF1AHSD17B10GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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