SCHEMBL28014374

SCHEMBL28014374

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SRD5A2 P31213 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 2/20 0.45
FFAR1 O14842 2/20 0.44
MMP13 P45452 1/20 0.44
HSPB1 P04792 1/20 0.44
MCL1 Q07820 1/20 0.43
HTT P42858 1/20 0.42
RAF1 P04049 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2470643 0.88 SCN4A (0.47) MEN1KMT2AKDM4ESRD5A2RAB9A
SCHEMBL27724976 0.80 MEN1 (0.58) MEN1KMT2AKDM4ESRD5A2RAB9A
SCHEMBL28070177 0.78 LMNA (0.44) MEN1KMT2AKDM4ESRD5A2RAB9A
SCHEMBL6246258 0.77 SRD5A2 (0.58) MEN1KMT2AKDM4ESRD5A2RAB9A
SCHEMBL28335276 0.76 MEN1 (0.50) MEN1KMT2AKDM4ESRD5A2RAB9A
SCHEMBL2891270 0.75 MAPT (0.41) MEN1KMT2AKDM4EMAPTNPSR1
SCHEMBL24168164 0.75 HSPB1 (0.51) MEN1KMT2AKDM4ESRD5A2RAB9A
SCHEMBL3552198 0.75 ALDH1A1 (0.59) MEN1KMT2AKDM4ESRD5A2RAB9A
SCHEMBL1890124 0.75 ALDH1A1 (0.59) MEN1KMT2AKDM4ESRD5A2RAB9A
SCHEMBL28227048 0.75 HSPB1 (0.51) MEN1KMT2AKDM4ESRD5A2RAB9A

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
CN-105085388-A Synthesis method for sorafenib intermediate HEFEI HUAFANG PHARMACEUTICAL SCIENCES & TECHNOLOGY CO LTD 2015-11-25 CN disclosed
CN-104557688-A Synthetic method for Sorafenib intermediate and synthetic method for compound A used for synthesizing Sorafenib intermediate ASYMCHEM LAB TIANJIN CO LTD 2015-04-29 CN disclosed