SCHEMBL7012647

SCHEMBL7012647

O=C(NOCc1ccccc1)Oc1ccc2cccnc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.39
HSP90AA1 P07900 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
PPIA P62937 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL7022295 0.82 KDM4E (0.56) EGLN1NPC1RAB9AKDM4EMEN1
SCHEMBL7017409 0.82 EGLN1 (0.53) EGLN1KDM4EMEN1LMNAKMT2A
SCHEMBL7020816 0.78 HSP90AA1 (0.63) EGLN1NPC1RAB9AKDM4EMEN1
SCHEMBL1654659 0.76 CYP3A4 (0.54) EGLN1KDM4EMEN1LMNAKMT2A
SCHEMBL7021606 0.74 EPHX1 (0.52) LMNAKMT2ACYP3A4ALDH1A1MAPT
SCHEMBL7015297 0.74 NPC1 (0.49) NPC1RAB9AKDM4EMEN1LMNA
SCHEMBL7016726 0.73 SMN1; SMN2 (0.52) NPC1RAB9AKDM4EMEN1LMNA
SCHEMBL6435155 0.73 LMNA (0.49) EGLN1KDM4EMEN1LMNAKMT2A
SCHEMBL5696271 0.72 NPC1 (0.59) NPC1RAB9AALDH1A1MAPTCA12
SCHEMBL7011986 0.71 HSP90AA1 (0.51) EGLN1NPC1RAB9AKDM4EMEN1

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