SCHEMBL11005524

SCHEMBL11005524

N#Cc1ccc(CON2CC2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ MAOB P27338 1/20 0.40
▸ KCNJ1 P48048 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ DPP4 P27487 3/20 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
▸ LOXL2 Q9Y4K0 2/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ GAA P10253 2/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ MRGPRX1 Q96LB2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL11167252 0.93 KMT2A (0.39) KMT2AMAOBKCNJ1KCNH2SIGMAR1
SCHEMBL11007258 0.84 NAAA (0.48) KCNH2SIGMAR1DRD4TMEM97DPP4
SCHEMBL11002451 0.84 KMT2A (0.40) KMT2ADPP4FAPDPP8DPP9
SCHEMBL11006655 0.83 CTSL (0.49) MAOBDPP4FAPDPP8DPP9
SCHEMBL11008482 0.81 NAAA (0.54) DPP4FAPDPP8DPP9DPP7
SCHEMBL11008420 0.81 NAAA (0.50) SIGMAR1DPP4FAPDPP8DPP9
SCHEMBL11008481 0.80 DPP4 (0.42) SIGMAR1DPP4FAPDPP8DPP9
SCHEMBL11157958 0.78 AGXT (0.53) SIGMAR1DRD4TMEM97DPP4FAP
SCHEMBL11003313 0.77 IDO1 (0.44) KCNH2SIGMAR1DPP4FAPDPP8
SCHEMBL11167676 0.76 AGXT (0.55) MAOBDPP4FAPDPP8DPP9

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 5 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 claimed
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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