SCHEMBL7048002

SCHEMBL7048002

Oc1ccc(OCc2ccccc2)cc1-c1nc(-c2ccccn2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALOX15 P16050 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALPL P05186 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 3/20 0.46
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL6461029 0.93 SMN1; SMN2 (0.52) SMN1; SMN2TDP1NPC1RAB9AALOX15
SCHEMBL6448635 0.84 SMN1; SMN2 (0.55) SMN1; SMN2TDP1NPC1RAB9AALOX15
SCHEMBL6454364 0.83 MAPT (0.51) TDP1RAB9AL3MBTL1PKMLMNA
SCHEMBL6449943 0.82 SMN1; SMN2 (0.61) SMN1; SMN2TDP1NPC1RAB9AALOX15
SCHEMBL6448806 0.82 MAPT (0.48) SMN1; SMN2TDP1RAB9ALMNAKDM4E
SCHEMBL6449741 0.80 MAPT (0.46) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1
SCHEMBL6450451 0.78 NPC1 (0.56) SMN1; SMN2TDP1NPC1RAB9AALOX15
SCHEMBL6450244 0.78 SMN1; SMN2 (0.58) SMN1; SMN2TDP1NPC1RAB9AALOX15
SCHEMBL6452734 0.78 SMN1; SMN2 (0.58) SMN1; SMN2TDP1NPC1RAB9AALOX15
SCHEMBL6454586 0.78 SMN1; SMN2 (0.58) SMN1; SMN2TDP1NPC1RAB9AALOX15

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