SCHEMBL6014080

SCHEMBL6014080

O=C(O)c1cncc(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
KDM4E B2RXH2 1/20 0.66
SRD5A2 P31213 2/20 0.62
MAPT P10636 4/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
CHEK2 O96017 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FFAR1 O14842 1/20 0.50
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
MCL1 Q07820 1/20 0.48
HSPB1 P04792 1/20 0.47
LPAR1 Q92633 1/20 0.47

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
SCHEMBL2885990 0.85 MAPT (0.56) MEN1KMT2AKDM4ESRD5A2MAPT
SCHEMBL264541 0.83 MEN1 (1.00) MEN1KMT2AKDM4ESRD5A2MAPT
SCHEMBL28068268 0.83 PARP15 (0.55) MEN1KMT2AKDM4ESRD5A2ALDH1A1
SCHEMBL3485184 0.82 PDE7A (0.54) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL6623045 0.81 SRD5A2 (0.90) MEN1KMT2AKDM4ESRD5A2MAPT
SCHEMBL28561063 0.81 SRD5A2 (0.90) MEN1KMT2AKDM4ESRD5A2MAPT
SCHEMBL1202826 0.80 AKR1C3 (0.62) MEN1KMT2AKDM4ESRD5A2ALDH1A1
SCHEMBL177838 0.79 KDM4E (1.00) MEN1KMT2AKDM4ESRD5A2MAPT
SCHEMBL2427437 0.79 XDH (0.58) MEN1KMT2AKDM4ECHEK2ALDH1A1
SCHEMBL4694752 0.78 HSPB1 (0.51) MEN1KMT2AKDM4ESRD5A2MAPT

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-2298311-B1 w-Carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-09 EP disclosed