SCHEMBL11007258

SCHEMBL11007258

Cc1ccc(CON2CC2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 6/20 0.48
▸ DRD4 P21917 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ DPP4 P27487 4/20 0.39
▸ AGXT P21549 2/20 0.39
▸ FAP Q12884 2/20 0.39
▸ DPP8 Q6V1X1 2/20 0.39
▸ DPP9 Q86TI2 2/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ KCNH2 Q12809 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33

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
SCHEMBL11157958 0.93 AGXT (0.53) NAAADRD4TMEM97SIGMAR1DPP4
SCHEMBL11008420 0.84 NAAA (0.50) NAAASIGMAR1DPP4AGXTFAP
SCHEMBL11005524 0.84 KMT2A (0.43) DRD4TMEM97SIGMAR1DPP4FAP
SCHEMBL11006655 0.83 CTSL (0.49) NAAADPP4FAPDPP8DPP9
SCHEMBL11008481 0.83 DPP4 (0.42) NAAASIGMAR1DPP4FAPDPP8
SCHEMBL11008482 0.81 NAAA (0.54) NAAADPP4AGXTFAPDPP8
SCHEMBL11167676 0.79 AGXT (0.55) NAAADPP4AGXTFAPDPP8
SCHEMBL11010407 0.78 SIGMAR1 (0.44) NAAASIGMAR1DPP4DPP8CA1
SCHEMBL11005214 0.78 IDO1 (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL11004916 0.78 PREP (0.48) DPP4FAPCA1CA2CA9

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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