SCHEMBL9307854

SCHEMBL9307854

Cc1cc(Cl)cc2sc(C(CC(O)=S)C(O)=S)nc12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
F2RL3 Q96RI0 1/20 0.34
PRKCZ Q05513 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 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
SCHEMBL9307865 0.90 NPC1 (0.39) NPC1RAB9AF2RL3PRKCZ
SCHEMBL9307851 0.79 NPC1 (0.40) NPC1RAB9AF2RL3PRKCZ
SCHEMBL8972427 0.76 NPC1 (0.41) NPC1RAB9AALDH1A1
SCHEMBL9304169 0.76 GAA (0.44) NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL9305726 0.73
SCHEMBL8972712 0.71 DYRK1A (0.41) NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL9307195 0.71
SCHEMBL8972082 0.69 GABRA1 (0.31)
SCHEMBL8972772 0.68 SMN1; SMN2 (0.44) NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL9443203 0.68 APP (0.36) NPC1RAB9AHSD17B10ALDH1A1

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 7 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-4612378-A Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio-carboxylic acids CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed