SCHEMBL31365033

SCHEMBL31365033

[2H]C([2H])([2H])[C@@H](Nc1cc(Br)cc(C)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.36
MCL1 Q07820 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NHERF1 O14745 1/20 0.33
FLT1 P17948 2/20 0.32
FLT4 P35916 2/20 0.32
KDR P35968 2/20 0.32
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL31364929 0.93 TNF (0.37) TNFMCL1MEN1KMT2AMAPT
SCHEMBL31365016 0.92 TSHR (0.37) TNFMCL1MEN1KMT2AMAPT
SCHEMBL31365010 0.84 TSHR (0.40) TNFMCL1MEN1KMT2AMAPT
SCHEMBL31365013 0.81 LMNA (0.37) MEN1KMT2AMAPTHTTFLT1
SCHEMBL31365011 0.81 MEN1 (0.36) TNFMEN1KMT2AMAPTHTT
SCHEMBL31364824 0.79 MAPT (0.37) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL31365031 0.76 LMNA (0.39) MEN1KMT2AMAPTHTTTSHR
SCHEMBL15053385 0.74 TSHR (0.47) MEN1KMT2AMAPTHTTTSHR
SCHEMBL31531593 0.74 TSHR (0.47) MEN1KMT2AMAPTHTTTSHR
SCHEMBL15053383 0.74 TSHR (0.47) MEN1KMT2AMAPTHTTTSHR

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
WO-2025056065-A1 CHEMOKINE RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION, AND USE 上海医药集团股份有限公司 2025-03-20 WO disclosed