SCHEMBL11167676

SCHEMBL11167676

COc1ccc(CON)cc1.COc1ccc(CON2CC2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 5/20 0.55
▸ IDO1 P14902 4/20 0.55
▸ NAAA Q02083 4/20 0.45
▸ DPP4 P27487 7/20 0.42
▸ DPP7 Q9UHL4 3/20 0.42
▸ FAP Q12884 2/20 0.42
▸ DPP8 Q6V1X1 2/20 0.42
▸ DPP9 Q86TI2 2/20 0.42
▸ KCNA5 P22460 2/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL11008420 0.93 NAAA (0.50) AGXTIDO1NAAADPP4DPP7
SCHEMBL11157958 0.86 AGXT (0.53) AGXTIDO1NAAADPP4DPP7
SCHEMBL11167252 0.84 KMT2A (0.39) AGXTIDO1DPP4DPP7FAP
SCHEMBL11007258 0.79 NAAA (0.48) AGXTNAAADPP4DPP7FAP
SCHEMBL11159698 0.78 IDO1 (0.56) AGXTIDO1DPP4DPP7FAP
SCHEMBL11002451 0.76 KMT2A (0.40) AGXTIDO1DPP4DPP7FAP
SCHEMBL11005524 0.76 KMT2A (0.43) DPP4DPP7FAPDPP8DPP9
SCHEMBL11010407 0.76 SIGMAR1 (0.44) NAAADPP4DPP8
SCHEMBL11006655 0.75 CTSL (0.49) NAAADPP4DPP7FAPDPP8
SCHEMBL11008481 0.75 DPP4 (0.42) NAAADPP4DPP7FAPDPP8

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-4397848-A ANTITUMOR ACTIVITY BOEHRINGER MANNHEIM GMBH (DE) 1983-08-09 — — US disclosed
Send feedback