SCHEMBL9003387

SCHEMBL9003387

CC(NCCO)NC(=O)CCO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACACB O00763 2/20 0.34
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.31
MAPT P10636 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
SCHEMBL970600 0.82 MEN1 (0.61) NAAAMEN1KMT2AFAAHMAPK1
SCHEMBL5708374 0.79 SLC6A4 (0.36) MEN1KMT2AHSD17B10ALDH1A1USP2
Phosphoric Acid SCHEMBL339543 0.77 MEN1 (0.54) NAAAMEN1KMT2AFAAHMAPK1
SCHEMBL16488593 0.75
SCHEMBL9633210 0.73 FAAH (0.59) NAAAMEN1KMT2AFAAHMAPK1
SCHEMBL29113513 0.71
SCHEMBL23376623 0.70 ALDH1A1 (0.51) MEN1KMT2AFAAHMAPK1HSD17B10
SCHEMBL15435835 0.70 ALDH1A1 (0.51) MEN1KMT2AFAAHMAPK1HSD17B10
SCHEMBL18674704 0.70 ALDH1A1 (0.51) MEN1KMT2AFAAHMAPK1HSD17B10
SCHEMBL7786760 0.69 HSD17B10 (0.31) HSD17B10

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
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed