SCHEMBL11517124

SCHEMBL11517124

CNC(=S)N1CCc2[nH]cnc2C1c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TRPM8 Q7Z2W7 2/20 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
SCHEMBL11515083 0.89 RAB9A (0.44) AOC3ALDH1A1KMT2AMAPTMEN1
SCHEMBL11516665 0.87 MAPT (0.45) AOC3ALDH1A1KMT2AMAPTMEN1
SCHEMBL11516376 0.81 SMN1; SMN2 (0.41) AOC3ALDH1A1KMT2AMAPTMEN1
SCHEMBL11516126 0.80 AOC3 (0.37) AOC3ALDH1A1KMT2AMAPTMEN1
SCHEMBL11517524 0.80 TRPM8 (0.45) AOC3TRPM8
SCHEMBL11516190 0.77 AOC3 (0.45) AOC3ALDH1A1KMT2AMAPTMEN1
SCHEMBL11515470 0.76 SMN1; SMN2 (0.39) AOC3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL11514454 0.76 AOC3 (0.53) AOC3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL11515027 0.75 AOC3 (0.47) AOC3SMN1; SMN2RAB9AKDM4ETRPM8
SCHEMBL11516954 0.73 AOC3 (0.34) AOC3ALDH1A1KMT2AMEN1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed