SCHEMBL11369577

SCHEMBL11369577

COc1ccc(CC(=O)NC(=O)N2CC2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ EPHX2 P34913 1/20 0.48
▸ DPP4 P27487 3/20 0.47
▸ FAP Q12884 2/20 0.47
▸ DPP8 Q6V1X1 2/20 0.47
▸ DPP9 Q86TI2 2/20 0.47
▸ DPP7 Q9UHL4 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL11377543 0.83 DPP4 (0.43) EPHX2DPP4FAPDPP8DPP9
SCHEMBL11371154 0.83 SIGMAR1 (0.43) FAPALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL11380434 0.81 ALOX15 (0.54) HTTDPP4FAPDPP8DPP9
SCHEMBL11377168 0.74 DPP4 (0.37) DPP4DPP8DPP9
SCHEMBL11376513 0.74 KCNA1 (0.47) LMNAHSD17B10
SCHEMBL11193892 0.73 DPP4 (0.46) HTTDPP4FAPDPP8DPP9
SCHEMBL11387722 0.73 CHRNB2 (0.50) HTTDPP4FAPDPP8DPP9
SCHEMBL11380278 0.73 ATF4 (0.50) ALDH1A1MEN1MAPTKMT2A
SCHEMBL11371767 0.72 DPP4 (0.45) DPP4ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11382452 0.71 MAPT (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4282212-A Immune-stimulating 1-(N-acylcarbamoyl)-2-cyanoaziridines BOEHRINGER MANNHEIM GMBH (DE) 1981-08-04 — — US disclosed
Send feedback