SCHEMBL11008420

SCHEMBL11008420

COc1ccc(CON2CC2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 4/20 0.50
▸ DPP4 P27487 6/20 0.44
▸ DPP7 Q9UHL4 3/20 0.44
▸ FAP Q12884 2/20 0.44
▸ DPP8 Q6V1X1 2/20 0.44
▸ DPP9 Q86TI2 2/20 0.44
▸ IDO1 P14902 2/20 0.42
▸ AGXT P21549 2/20 0.42
▸ KCNA5 P22460 2/20 0.40
▸ APP P05067 3/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL11167676 0.93 AGXT (0.55) NAAADPP4DPP7FAPDPP8
SCHEMBL11007258 0.84 NAAA (0.48) NAAADPP4DPP7FAPDPP8
SCHEMBL11002451 0.81 KMT2A (0.40) DPP4DPP7FAPDPP8DPP9
SCHEMBL11005524 0.81 KMT2A (0.43) DPP4DPP7FAPDPP8DPP9
SCHEMBL11010407 0.81 SIGMAR1 (0.44) NAAADPP4DPP8SIGMAR1
SCHEMBL11006655 0.81 CTSL (0.49) NAAADPP4DPP7FAPDPP8
SCHEMBL11008481 0.81 DPP4 (0.42) NAAADPP4DPP7FAPDPP8
SCHEMBL11008482 0.79 NAAA (0.54) NAAADPP4DPP7FAPDPP8
SCHEMBL11157958 0.78 AGXT (0.53) NAAADPP4DPP7FAPDPP8
SCHEMBL11007278 0.77 PTGS2 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4517183-A COMBATING DISEASES WITH WEAKNESS OF IMMUNE SYSTEMS BOEHRINGER MANNHEIM GMBH (DE) 1985-05-14 — — US disclosed
EP-0014976-B1 N-SUBSTITUTED 2-CYANAZIRIDINES, METHODS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM, CORRESPONDINGLY SUBSTITUTED AZIRIDINE-2-CARBONAMIDES AND THEIR PREPARATION Roche Diagnostics GmbH (DE) 1982-04-07 — — EP disclosed
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