SCHEMBL2470643

SCHEMBL2470643

NC(=O)Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
SRD5A2 P31213 1/20 0.44
MMP13 P45452 1/20 0.44
HSPB1 P04792 1/20 0.43
PKM P14618 1/20 0.42
CHEK2 O96017 1/20 0.42
F13A1 P00488 1/20 0.41
FFAR1 O14842 1/20 0.41
RAF1 P04049 1/20 0.41
HTT P42858 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
SCHEMBL28014374 0.88 MEN1 (0.51) KDM4EKMT2AMEN1ALDH1A1NPC1
SCHEMBL2891270 0.86 MAPT (0.41) SCN4AKDM4EKMT2AMEN1ALDH1A1
SCHEMBL2475625 0.83 ALDH1A1 (0.39) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL2473665 0.83 ALDH1A1 (0.48) KDM4EKMT2AMEN1ALDH1A1NPC1
SCHEMBL2473090 0.83 RAF1 (0.45) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3912768 0.82 PARP10 (0.46) KMT2AMEN1ALDH1A1NPC1MAPT
SCHEMBL2892781 0.81 NR4A1 (0.49)
SCHEMBL2475270 0.81 ALDH1A1 (0.42) KDM4EKMT2AMEN1ALDH1A1NPC1
SCHEMBL2474007 0.81 SCN4A (0.44) SCN4AKDM4EKMT2AMEN1ALDH1A1
SCHEMBL30561407 0.81 CYP1A2 (0.43) KMT2AMEN1ALDH1A1NPC1MAPT

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-2370429-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-10-05 EP disclosed