SCHEMBL14767767

SCHEMBL14767767

C=C(O)c1sc2[nH]c(=O)nc(N)c2c1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPK1 P28482 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
SCHEMBL1621900 0.87 BCAT2 (0.41) ALDH1A1MAPTRXFP1
SCHEMBL13982529 0.84 CDK8 (0.40) ALDH1A1MAPTRXFP1MAPK1
SCHEMBL12322234 0.83 ALDH1A1 (0.37) ALDH1A1MAPTRXFP1MAPK1
SCHEMBL12322235 0.80 ALDH1A1 (0.41) ALDH1A1MAPTRXFP1
SCHEMBL641559 0.78 MAPK1 (0.46) ALDH1A1MAPTMAPK1
SCHEMBL13982522 0.78 ALDH1A1 (0.38) ALDH1A1MAPTRXFP1
SCHEMBL1622755 0.77 ALDH1A1 (0.40) ALDH1A1MAPTRXFP1
SCHEMBL13982523 0.77 ALDH1A1 (0.33) ALDH1A1MAPTRXFP1
Hydrochloric Acid SCHEMBL643220 0.76 MAPK1 (0.45) ALDH1A1MAPTMAPK1
SCHEMBL13982536 0.75 TKT (0.36)

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
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed