SCHEMBL9443152

SCHEMBL9443152

CNc1ccc2nc(C(CC(=O)O)C(O)=S)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
APP P05067 5/20 0.42
LMNA P02545 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
SULT1A1 P50225 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9443141 0.90 APP (0.42) LDHACASP3SENP8SENP7SENP6
SCHEMBL9304603 0.90 LDHA (0.45) LDHACASP3SENP8SENP7SENP6
SCHEMBL9443138 0.82 LDHA (0.44) LDHACASP3SENP8SENP7SENP6
SCHEMBL8972422 0.82 RAB9A (0.47) LMNARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8972435 0.81 AKR1B1 (0.44) CASP3SENP8SENP7SENP6LMNA
SCHEMBL8973284 0.81 MEN1 (0.44) APPLMNALIPGRAB9ANPC1
Dimethylamine SCHEMBL10597492 0.81 PKM (0.51) LMNARAB9ANPC1HTTSMN1; SMN2
SCHEMBL8973017 0.81 PKM (0.51) LMNARAB9ANPC1HTTSMN1; SMN2
SCHEMBL9443182 0.80 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2TP53
SCHEMBL9305814 0.79 PPARA (0.54) LMNARAB9ANPC1HTTSMN1; 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