SCHEMBL31365013

SCHEMBL31365013

[2H]C([2H])([2H])[C@@H](Nc1cc(Br)cc(C)c1N)c1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.30
CA1 P00915 1/20 0.30
CA14 Q9ULX7 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL31365025 0.91 TP53 (0.43) LMNATP53HTTMEN1KMT2A
SCHEMBL31365031 0.90 LMNA (0.39) LMNATP53HTTMEN1KMT2A
SCHEMBL31365033 0.81 TNF (0.36) LMNATP53HTTMEN1KMT2A
SCHEMBL31365037 0.81 TP53 (0.45) LMNATP53HTTMEN1KMT2A
SCHEMBL31364893 0.78 TP53 (0.42) LMNATP53HTTMEN1KMT2A
SCHEMBL31364831 0.76 TP53 (0.40) LMNATP53HTTMEN1KMT2A
SCHEMBL31365016 0.75 TSHR (0.37) LMNATP53HTTMEN1KMT2A
SCHEMBL31364929 0.74 TNF (0.37) LMNATP53HTTMEN1KMT2A
SCHEMBL31364959 0.73 TP53 (0.45) LMNATP53HTTMEN1KMT2A
SCHEMBL31364997 0.71 LMNA (0.43) LMNATP53HTTMEN1KMT2A

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