SCHEMBL11372497

SCHEMBL11372497

N#CC1CN1C(=O)NC(=O)Cc1cccc(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 9/20 0.34
▸ CTPS1 P17812 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ FAP Q12884 2/20 0.32
▸ DPP4 P27487 5/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31

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 0.76 DPP4 (0.43) PREPMAPTFAPDPP4DPP8
SCHEMBL11373179 0.71 DPP4 (0.33) PREPALDH1A1DPP4DPP8DPP9
SCHEMBL11380278 0.69 ATF4 (0.50) ALDH1A1MAPT
SCHEMBL11371154 0.69 SIGMAR1 (0.43) PREPALDH1A1MAPTFAP
SCHEMBL11369577 0.69 HTT (0.50) ALDH1A1MAPTHPGDFAPDPP4
SCHEMBL11371767 0.68 DPP4 (0.45) PREPALDH1A1GAAMAPTHPGD
SCHEMBL11403893 0.68 KDM4E (0.47) CTPS1ALDH1A1GAAMAPTHPGD
SCHEMBL11378197 0.68 KDM4E (0.48) ALDH1A1MAPT
SCHEMBL11369671 0.67 KMT2A (0.50) ALDH1A1GAAMAPTDPP4
SCHEMBL11373157 0.66 PREP (0.49) PREPGAADPP4

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
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