SCHEMBL11058822

SCHEMBL11058822

c1nc2c(c(Nc3ccc4c(c3)OCO4)n1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE5A O76074 1/20 0.48
CLK1 P49759 2/20 0.47
PKM P14618 1/20 0.47
PRMT1 Q99873 1/20 0.46
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL15426132 0.77 MAPT (0.67) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL9368433 0.75 NPC1 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2851197 0.75 MAPT (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4872580 0.75 MAPT (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL9373167 0.75 PRMT1 (0.47) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10956616 0.75 EGFR (0.56) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10960189 0.75 MKNK1 (0.54) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL10955880 0.75 MKNK1 (0.54) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL11008088 0.75 CCNT1 (0.46) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL10959251 0.75 HTT (0.56) MEN1KMT2AMAPTHPGDSMN1; SMN2

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-4450162-A Pyrimidine derivatives and a pharmaceutical composition containing them SANKYO COMPANY, LIMITED (JP) 1984-05-22 US disclosed
EP-0067630-A1 Pyrimidine derivatives, a process for preparing them and a pharmaceutical composition containing them SANKYO COMPANY LIMITED (JP) 1982-12-22 EP disclosed