SCHEMBL4843519

SCHEMBL4843519

CCOC(=O)c1ccnc(NCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
KDM5A P29375 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
KDM5B Q9UGL1 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
RAB9A P51151 2/20 0.53
ALOX15 P16050 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 2/20 0.49
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL5471374 0.82 KDM5B (0.75) NOS2KDM5AKDM4CKDM5BMEN1
SCHEMBL12583544 0.81 NPC1 (0.51) KDM5AKDM4CKDM5BRAB9AGAA
SCHEMBL3492541 0.81 MAPT (0.66) SMN1; SMN2RAB9AMEN1KMT2AGAA
SCHEMBL1568064 0.81 RAB9A (0.59) SMN1; SMN2RAB9ACYP1A2GAAMAPT
SCHEMBL11562643 0.81 SMN1; SMN2 (0.60) SMN1; SMN2NPSR1RAB9AALOX15MEN1
SCHEMBL31026203 0.80 MMP13 (0.56) SMN1; SMN2RAB9AMEN1KMT2ACYP1A2
SCHEMBL12852738 0.79 JMJD6 (0.53) SMN1; SMN2KDM5AKDM4CKDM5BRAB9A
SCHEMBL31141689 0.79 NPSR1 (0.68) SMN1; SMN2NPSR1RAB9AMEN1KMT2A
SCHEMBL2475428 0.78 JMJD6 (0.52) SMN1; SMN2KDM5AKDM4CKDM5BRAB9A
SCHEMBL10106419 0.77 MAPT (0.65) SMN1; SMN2RAB9AMEN1KMT2AMAPT

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-1991227-A2 PROLYL HYDROXYLASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-19 EP disclosed
WO-2007103905-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed