SCHEMBL31365031

SCHEMBL31365031

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
CA1 P00915 1/20 0.31
CA14 Q9ULX7 1/20 0.31
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL31365037 0.91 TP53 (0.45) LMNATP53HTTMEN1KMT2A
SCHEMBL31365013 0.90 LMNA (0.37) LMNATP53HTTMEN1KMT2A
SCHEMBL31365025 0.81 TP53 (0.43) LMNATP53HTTMEN1KMT2A
SCHEMBL31365016 0.80 TSHR (0.37) LMNATP53HTTMEN1KMT2A
SCHEMBL31364893 0.80 TP53 (0.42) LMNATP53HTTMEN1KMT2A
SCHEMBL31364831 0.78 TP53 (0.40) LMNATP53HTTMEN1KMT2A
SCHEMBL31365033 0.76 TNF (0.36) LMNATP53HTTMEN1KMT2A
SCHEMBL31364959 0.75 TP53 (0.45) LMNATP53HTTMEN1KMT2A
SCHEMBL31364796 0.73 KMT2A (0.46) LMNATP53HTTMEN1KMT2A
SCHEMBL31365057 0.69 LMNA (0.45) 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