SCHEMBL2860604

SCHEMBL2860604

Nc1ccc(Oc2cc(NC(=O)O)ccc2F)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 3/20 0.43
KEAP1 Q14145 1/20 0.42
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
MET P08581 7/20 0.41
GRM4 Q14833 2/20 0.40
GRM8 O00222 1/20 0.40
GRM7 Q14831 1/20 0.40
RAF1 P04049 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.37

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
SCHEMBL4314966 0.90 MEN1 (0.53) MEN1KMT2AKDM4EKEAP1ALOX5AP
SCHEMBL2860411 0.86 KEAP1 (0.49) MEN1KMT2AKDM4EKEAP1MET
SCHEMBL2855457 0.82 MEN1 (0.50) MEN1KMT2AKDM4EKEAP1ALOX5AP
SCHEMBL2859667 0.81 HSPB1 (0.57) MEN1KMT2AKDM4EMETPOLB
SCHEMBL2859670 0.81 HSPB1 (0.57) MEN1KMT2AKDM4EMETPOLB
SCHEMBL2852227 0.78 KDM4E (0.52) MEN1KMT2AKDM4EKEAP1MET
SCHEMBL2860402 0.77 MEN1 (0.47) MEN1KMT2AKDM4EKEAP1ALOX5AP
SCHEMBL2862245 0.77 KDM4E (0.57) MEN1KMT2AKDM4EKEAP1POLB
SCHEMBL2853481 0.77 EPHX2 (0.41) MEN1KMT2AMETGRM4LMNA
SCHEMBL16792569 0.77 MEN1 (0.71) MEN1KMT2AKDM4EKEAP1ALOX5AP

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
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed