SCHEMBL28014368

SCHEMBL28014368

CC(C)(OC=O)c1cc(Oc2ccc([N+](=O)[O-])c(F)c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.36
RAPGEF3 O95398 1/20 0.33
MAPK14 Q16539 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK13 O15264 3/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 5/20 0.32
LMNA P02545 4/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.32
RECQL P46063 1/20 0.32
TDO2 P48775 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL28014355 0.83 ALDH1A1 (0.43) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL2549018 0.75 TDP1 (0.45) TDP1ATMALDH1A1HTTMAPK14
SCHEMBL17786752 0.75 ATM (0.62) TDP1ATMALDH1A1HTTRAPGEF3
Ethoxycarbonyl Group SCHEMBL27744513 0.74 MAPT (0.40) TDP1ATMALDH1A1HTTMEN1
SCHEMBL28819079 0.74 ALDH1A1 (0.39) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL858556 0.72 PYGL (0.42) TDP1ATMALDH1A1RAPGEF3MEN1
SCHEMBL863956 0.72 TDP1 (0.42) TDP1ATMALDH1A1HTTRAPGEF3
SCHEMBL28323325 0.71 KDR (0.57) MAPK14MEN1KMT2AMAPK13ABL1
SCHEMBL5857081 0.70 TDP1 (0.51) TDP1ATMALDH1A1HTTMEN1
SCHEMBL3491884 0.70 ATM (0.55) TDP1ATMALDH1A1HTTRAPGEF3

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
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