SCHEMBL16650575

SCHEMBL16650575

COc1cc2cccnc2cc1C(=O)NC1=CC(=O)C2OC2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.45
IRAK1 P51617 5/20 0.45
NPC1 O15118 9/20 0.45
RAB9A P51151 7/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 4/20 0.43
AURKA O14965 1/20 0.43
MAP3K7 O43318 1/20 0.43
FLT3 P36888 1/20 0.43
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
ATM Q13315 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL16649916 0.80 PARK7 (0.58) IRAK4IRAK1NPC1RAB9APDGFRB
SCHEMBL354123 0.80 BRD4 (0.44) NPC1RAB9AMAPTTSHRSMN1; SMN2
SCHEMBL352796 0.79 EGLN1 (0.47) NPC1RAB9AMAPTPOLBCASP3
SCHEMBL353219 0.75 PRKCI (0.35) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL352275 0.73 SMN1; SMN2 (0.37) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL30616306 0.73 PDGFRB (0.64) IRAK4IRAK1NPC1RAB9APDGFRB
SCHEMBL30616268 0.71 PDGFRB (0.66) IRAK4IRAK1NPC1RAB9APDGFRB
SCHEMBL29812587 0.71 PDGFRB (0.60) IRAK4IRAK1NPC1RAB9APDGFRB
SCHEMBL28839474 0.70 PDGFRB (0.64) IRAK4IRAK1NPC1RAB9APDGFRB
SCHEMBL30229311 0.70 PDGFRB (0.64) IRAK4IRAK1NPC1RAB9APDGFRB

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-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP claimed