SCHEMBL5598446

SCHEMBL5598446

CCOc1cnc2c(=O)cc[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
MAPT P10636 2/20 0.43
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
APP P05067 1/20 0.36
HPGD P15428 3/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NQO1 P15559 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL2211390 0.84 MAPK1 (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1150521 0.78 BRD4 (0.42) HSD17B10MAPTESR2ALDH1A1MEN1
SCHEMBL5598599 0.74 ALDH1A1 (0.55) HSD17B10ALDH1A1MEN1KMT2ALMNA
SCHEMBL2698875 0.72 DYRK1A (0.43) HSD17B10MAPTALDH1A1MEN1KMT2A
SCHEMBL2700901 0.72 AHR (0.40) HSD17B10ALDH1A1KDM4EGPR84
SCHEMBL413709 0.68 KDR (0.54)
SCHEMBL827340 0.67 MEN1 (0.65) HSD17B10MAPTESR2ALDH1A1MEN1
SCHEMBL7290836 0.67 ALDH1A1 (0.47) HSD17B10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL785557 0.66 L3MBTL1 (0.59) HSD17B10MAPTESR2ALDH1A1MEN1
SCHEMBL6626983 0.66 MEN1 (0.62) HSD17B10MAPTESR2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007113548-A1 NAPHTHYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-10-11 WO disclosed