SCHEMBL9443255

SCHEMBL9443255

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
LIPG Q9Y5X9 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
APP P05067 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
GAA P10253 1/20 0.31
LIPC P11150 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL9443260 0.91 PKM (0.38) HPGDLIPGSMN1; SMN2NPC1RAB9A
SCHEMBL402776 0.81 HPGD (0.53) HPGDSMN1; SMN2NPC1RAB9ALOXL2
SCHEMBL9443249 0.80 HPGD (0.38) HPGDLIPGSMN1; SMN2NPC1RAB9A
Ammonia Solution, Strong SCHEMBL7032984 0.79 HPGD (0.51) HPGDSMN1; SMN2NPC1RAB9ALOXL2
SCHEMBL8972403 0.79 RAB9A (0.49) HPGDSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL8972427 0.79 NPC1 (0.41) SMN1; SMN2APPNPC1RAB9ACASP3
Methylamine SCHEMBL9443278 0.77 LOXL2 (0.51) HPGDSMN1; SMN2NPC1RAB9ALOXL2
SCHEMBL9305793 0.76 ALDH1A1 (0.52) HPGDSMN1; SMN2NPC1RAB9AGAA
Dimethylamine SCHEMBL10597488 0.76 HPGD (0.48) HPGDSMN1; SMN2NPC1RAB9ALOXL2
SCHEMBL9443203 0.76 APP (0.36) HPGDSMN1; SMN2APPNPC1RAB9A

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