SCHEMBL11008481

SCHEMBL11008481

CC(C)(C)c1ccc(CON2CC2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.42
▸ FAP Q12884 1/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ NAAA Q02083 2/20 0.39
▸ APP P05067 1/20 0.38
▸ SIGMAR1 Q99720 5/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ NR4A2 P43354 2/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35
▸ EBP Q15125 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL11007258 0.83 NAAA (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL11002451 0.80 KMT2A (0.40) DPP4FAPDPP8DPP9DPP7
SCHEMBL11005524 0.80 KMT2A (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL11167676 0.75 AGXT (0.55) DPP4FAPDPP8DPP9DPP7
SCHEMBL11005214 0.74 IDO1 (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL11010407 0.74 SIGMAR1 (0.44) DPP4DPP8NAAASIGMAR1
SCHEMBL11167252 0.74 KMT2A (0.39) DPP4FAPDPP8DPP9DPP7
SCHEMBL11004925 0.72 IDO1 (0.49) DPP4DPP8DPP9DPP7NAAA
SCHEMBL11160529 0.70 DPP4 (0.41) DPP4DPP8NAAASIGMAR1
SCHEMBL11003582 0.70 IDO1 (0.45) DPP4FAPDPP8DPP9DPP7

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 4 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
US-4397848-A ANTITUMOR ACTIVITY BOEHRINGER MANNHEIM GMBH (DE) 1983-08-09 — — 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
EP-0014976-A1 N-substituted 2-cyanaziridines, methods for their preparation and medicaments containing them, correspondingly substituted aziridine-2-carbonamides and their preparation Roche Diagnostics GmbH (DE) 1980-09-03 — — EP disclosed
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