SCHEMBL7049003

SCHEMBL7049003

FC(F)(F)c1ccc(-c2noc(-c3cccc4ccccc34)n2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
HPGD P15428 5/20 0.62
MAPT P10636 5/20 0.62
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
MAPK1 P28482 4/20 0.62
HSD17B10 Q99714 4/20 0.62
NPC1 O15118 3/20 0.62
TP53 P04637 2/20 0.62
CASP3 P42574 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
TSHR P16473 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 3/20 0.50
LMNA P02545 1/20 0.50
CHUK O15111 1/20 0.47

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
SCHEMBL7051693 0.84 CHUK (0.68) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL13247920 0.82 MAPT (0.47) HPGDMAPTKDM4EALDH1A1NPC1
SCHEMBL7044304 0.81 CASP3 (0.50) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL4193214 0.77 SMN1; SMN2 (1.00) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL6459405 0.77 NPC1 (0.40) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL6457424 0.75 CASP3 (0.48) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL28133798 0.74 SMN1; SMN2 (0.77) SMN1; SMN2HPGDMAPTKDM4EALDH1A1
SCHEMBL7153588 0.74 CASP3 (0.53) KDM4ENPC1CASP3LMNACHUK
SCHEMBL7048686 0.73 CASP3 (0.52) NPC1CASP3RAB9ACHUKTXNRD1
SCHEMBL22925608 0.73 CASP3 (0.56) KDM4ECASP3LMNANPSR1S1PR1

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-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed