SCHEMBL9357828

SCHEMBL9357828

Brc1ccccc1CSc1nc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.65
GAA P10253 1/20 0.65
SI P14410 1/20 0.65
MGAM2 Q2M2H8 1/20 0.65
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
MAPK1 P28482 4/20 0.61
CYP1A2 P05177 3/20 0.61
CYP2D6 P10635 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C19 P33261 2/20 0.61
HIF1A Q16665 1/20 0.61
ALDH1A1 P00352 8/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
HSD17B10 Q99714 6/20 0.58
CYP2C9 P11712 1/20 0.55
STAT6 P42226 1/20 0.55

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
SCHEMBL9357813 0.86 CYP1A2 (0.55) MGAMGAASIMGAM2RAB9A
SCHEMBL1082524 0.82 RAB9A (0.67) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL9353568 0.82 ALDH1A1 (0.65) MGAMGAASIMGAM2RAB9A
SCHEMBL9353573 0.82 RAB9A (0.71) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL9357732 0.82 RAB9A (0.63) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL9353867 0.81 RAB9A (0.66) MGAMGAASIMGAM2RAB9A
SCHEMBL9357780 0.81 NPC1 (0.61) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL9353612 0.80 MAPK1 (0.63) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL9353607 0.79 NPC1 (0.65) MGAMGAASIMGAM2RAB9A
SCHEMBL10866268 0.78 RAB9A (0.59) RAB9ANPC1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394196-B1 Anti-corrosive coating compositions CIBA GEIGY AG (CH) 1994-09-28 EP disclosed
US-5102457-A Protective coating consists of 2-benzylthiobenzothiazole or it's derivatives CIBA-GEIGY CORP. (US) 1992-04-07 US disclosed
EP-0394196-A1 Anti-corrosive coating compositions CIBA-GEIGY AG (CH) 1990-10-24 EP disclosed