SCHEMBL8445994

SCHEMBL8445994

O=c1nc(-c2c(F)cccc2F)oc2cccc(F)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
AR P10275 4/20 0.41
AHR P35869 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
PARP1 P09874 1/20 0.39
CASP3 P42574 3/20 0.38
SENP8 Q96LD8 3/20 0.38
SENP7 Q9BQF6 3/20 0.38
SENP6 Q9GZR1 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ELANE P08246 1/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35

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
SCHEMBL912739 0.76 F7 (0.58) F7F3PARP1ELANE
SCHEMBL1918043 0.72 F2RL3 (0.43) F7F3NPC1RAB9ALMNA
SCHEMBL9868687 0.72 KDM4E (0.69) F7F3NPC1RAB9ALMNA
SCHEMBL440072 0.72 DHODH (0.49) F7F3NPC1RAB9AKDM4E
SCHEMBL6032801 0.71 F7 (0.47) F7F3AHRNPC1RAB9A
SCHEMBL1918191 0.71 F7 (0.48) F7F3NPC1RAB9ALMNA
SCHEMBL6031944 0.68 F7 (0.39) F7F3NPC1RAB9ALMNA
SCHEMBL913466 0.68 ELANE (0.75) F7F3ELANE
SCHEMBL914243 0.68 F7 (0.53) F7F3L3MBTL1ELANE
SCHEMBL913929 0.68 ELANE (0.52) F7F3NPC1RAB9ALMNA

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
JP-11322611-A None JP disclosed
JP-H11322611-A ANTIVIRAL AGENT SANKYO CO LTD 1999-11-24 JP disclosed