SCHEMBL7017772

SCHEMBL7017772

O=C(Nc1ccccc1F)Oc1ccc2cccnc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 3/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATR Q13535 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7020816 0.81 HSP90AA1 (0.63) NPC1RAB9ALMNAL3MBTL1KDM4E
SCHEMBL7015297 0.80 NPC1 (0.49) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL7018848 0.79 LMNA (0.48) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL7011986 0.77 HSP90AA1 (0.51) NPC1RAB9ALMNAL3MBTL1KDM4E
SCHEMBL7017485 0.75 EGLN1 (0.52) NPC1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL7015247 0.74 NPC1 (0.51) NPC1RAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL7018630 0.73 NPC1 (0.53) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL7017409 0.73 EGLN1 (0.53) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL21729904 0.72 RAB9A (0.75) NPC1RAB9ANPSR1KDM4EALDH1A1
SCHEMBL29484708 0.72 RAB9A (0.75) NPC1RAB9ANPSR1KDM4EALDH1A1

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
EP-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP claimed