SCHEMBL11258765

SCHEMBL11258765

CN(C(=O)NCCO)C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MTOR P42345 2/20 0.47
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 1/20 0.44
GAA P10253 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX1 P07099 3/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL11264746 0.87 KMT2A (0.54) KMT2AMEN1MTORALDH1A1NPSR1
SCHEMBL11262889 0.86 MEN1 (0.46) KMT2AMEN1MTORALDH1A1NPSR1
SCHEMBL11263216 0.86 MEN1 (0.46) KMT2AMEN1MTORALDH1A1NPSR1
SCHEMBL11265941 0.83 MEN1 (0.54) KMT2AMEN1MTORALDH1A1NPSR1
SCHEMBL11273295 0.83 MEN1 (0.51) KMT2AMEN1ALDH1A1NPSR1ATM
SCHEMBL11275088 0.83 EPHX1 (0.64) KMT2AMEN1ALDH1A1NPSR1EPHX1
SCHEMBL11270939 0.82 ABAT (0.56) KMT2AMEN1MTORALDH1A1NPSR1
SCHEMBL11270488 0.82 USP2 (0.55) KMT2AMEN1MTORALDH1A1NPSR1
SCHEMBL11278393 0.79 MTOR (0.53) KMT2AMEN1MTORALDH1A1NPSR1
SCHEMBL11266003 0.79 MTOR (0.46) KMT2AMEN1MTORALDH1A1NPSR1

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