SCHEMBL8032802

SCHEMBL8032802

C[S-].C[S-].C[Sn+2]c1ccccc1CN

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.41
DPP4 P27487 2/20 0.39
NCF1 P14598 1/20 0.35
TAAR1 Q96RJ0 5/20 0.34
LOXL2 Q9Y4K0 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
IDO1 P14902 2/20 0.31
CYP2A6 P11509 1/20 0.31
HTR2A P28223 1/20 0.30

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
Bromide SCHEMBL8033177 0.93 PNMT (0.43) PNMTDPP4NCF1TAAR1LOXL2
Hydrochloric Acid SCHEMBL8032966 0.93 PNMT (0.43) PNMTDPP4NCF1TAAR1LOXL2
SCHEMBL8037260 0.92 PNMT (0.39) PNMTDPP4NCF1TAAR1LOXL2
SCHEMBL8033376 0.91 PNMT (0.41) PNMTDPP4NCF1TAAR1LOXL2
SCHEMBL8033198 0.88 PNMT (0.39) PNMTDPP4NCF1TAAR1LOXL2
SCHEMBL8033499 0.84 PNMT (0.36) PNMTDPP4NCF1TAAR1
SCHEMBL8039991 0.81 PNMT (0.34) PNMTDPP4NCF1
SCHEMBL8033443 0.79 PNMT (0.39) PNMTDPP4NCF1TAAR1LOXL2
SCHEMBL8033530 0.74 PNMT (0.38) PNMTDPP4NCF1TAAR1
Bromide SCHEMBL8033419 0.72 PNMT (0.40) PNMTDPP4NCF1TAAR1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022822-A Organotin compound and catalyst for transesterification comprising the same RYOJI NOYORI (JP) 2000-02-08 US disclosed