SCHEMBL13587154

SCHEMBL13587154

COc1cc2nccc(Oc3ccc4nc(NC(=O)c5ccc(Br)s5)sc4c3)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
POLB P06746 2/20 0.68
TP53 P04637 1/20 0.68
MAPT P10636 1/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HSD17B10 Q99714 1/20 0.68
MET P08581 4/20 0.66
AXL P30530 3/20 0.54
KDR P35968 9/20 0.51
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51

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
SCHEMBL13587155 0.90 MET (0.67) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13587167 0.90 MET (0.66) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13587159 0.88 MET (0.64) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13587174 0.88 AXL (0.71) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13587152 0.87 MET (0.63) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4379209 0.86 MET (0.70) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4368604 0.85 MET (0.77) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL13587147 0.85 MET (0.64) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4378894 0.84 MET (0.68) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4370355 0.84 MET (0.73) NPC1RAB9AMEN1KMT2AKDM4E

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
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US disclosed
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US disclosed