SCHEMBL11270488

SCHEMBL11270488

CN(C(=O)NCCC#N)C(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MTOR P42345 2/20 0.43
F2R P25116 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL11258765 0.82 KMT2A (0.47) HSD17B10ALDH1A1MEN1KMT2AMTOR
SCHEMBL11264746 0.82 KMT2A (0.54) ALDH1A1HPGDMEN1KMT2AMTOR
SCHEMBL11262889 0.81 MEN1 (0.46) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL11263216 0.81 MEN1 (0.46) HSD17B10POLBALDH1A1MEN1KMT2A
SCHEMBL11265941 0.79 MEN1 (0.54) HSD17B10ALDH1A1MEN1KMT2AMTOR
SCHEMBL11273295 0.78 MEN1 (0.51) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL11275088 0.78 EPHX1 (0.64) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL11270939 0.77 ABAT (0.56) HSD17B10ALDH1A1MEN1KMT2AMTOR
SCHEMBL10903651 0.75 USP2 (0.63) USP2HSD17B10POLBALDH1A1HPGD
SCHEMBL11278393 0.75 MTOR (0.53) HSD17B10POLBALDH1A1HPGDLMNA

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-4350700-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1982-09-21 US disclosed
US-4287207-A USED AS AN ANALGESIC, ANTIPYRETIC OR ANTIINFLAMMATORY AGENT TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1981-09-01 US disclosed