SCHEMBL8129232

SCHEMBL8129232

CC(=O)Nc1ccc(C(=O)CC2=CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GRIN2B Q13224 1/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
S1PR5 Q9H228 1/20 0.45
HIF1A Q16665 2/20 0.44
EPAS1 Q99814 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 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
SCHEMBL8126842 0.86 DRD2 (0.48) MEN1KMT2ANAMPTALDH1A1MAPT
SCHEMBL4818137 0.78 ALDH1A1 (0.70) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL12574593 0.77 ALDH1A1 (0.47) KMT2ANAMPTALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4471670 0.77 ALDH1A1 (0.68) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL4772546 0.76 NAMPT (0.49) MEN1KMT2ANAMPTALDH1A1KDM4E
SCHEMBL8135851 0.76 PDE4B (0.42) MEN1NAMPTALDH1A1KDM4EMAPT
SCHEMBL8125595 0.74 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL8133405 0.74 ACHE (0.58)
SCHEMBL8132361 0.73 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL14544155 0.73 NAMPT (0.53) MEN1KMT2ANAMPTALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664291-B1 PYRIMIDINE COMPOUND UBE INDUSTRIES (JP) 2000-07-19 EP disclosed
US-5610303-A MONOAMIDE OXIDASE INHIBITORS UBE INDUSTRIES, LTD. (JP) 1997-03-11 US disclosed
EP-0664291-A1 PYRIMIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 1995-07-26 EP disclosed