SCHEMBL1026804

SCHEMBL1026804

CC(C)(C)N(C(=O)O)c1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
KDM4E B2RXH2 2/20 0.47
RORC P51449 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 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
SCHEMBL1026805 1.00 MEN1 (0.47) MEN1KMT2AKDM4ERORCALDH1A1
SCHEMBL1026107 0.83 NR3C1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1026801 0.83 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1026803 0.83 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1027384 0.82 ALDH1A1 (0.65) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1027383 0.82 ALDH1A1 (0.65) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1024998 0.82 ALDH1A1 (0.65) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1024999 0.82 ALDH1A1 (0.65) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1024481 0.81 ALDH1A1 (0.65) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1024480 0.81 ALDH1A1 (0.65) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed