SCHEMBL31364893

SCHEMBL31364893

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SCN1A P35498 5/20 0.36
SCN5A Q14524 5/20 0.36
SCN8A Q9UQD0 5/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
IDH1 O75874 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TGFBR1 P36897 1/20 0.33

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 0.88 TP53 (0.45) TP53LMNAHTTMEN1KMT2A
SCHEMBL31365025 0.86 TP53 (0.43) TP53LMNAHTTMEN1KMT2A
SCHEMBL31364831 0.82 TP53 (0.40) TP53LMNAHTTMEN1KMT2A
SCHEMBL31364959 0.80 TP53 (0.45) TP53LMNAHTTMEN1KMT2A
SCHEMBL31365011 0.80 MEN1 (0.36) TP53LMNAHTTMEN1KMT2A
SCHEMBL31364892 0.80 LMNA (0.42) TP53LMNAHTTMEN1KMT2A
SCHEMBL31365031 0.80 LMNA (0.39) TP53LMNAHTTMEN1KMT2A
SCHEMBL31364796 0.78 KMT2A (0.46) TP53LMNAHTTMEN1KMT2A
SCHEMBL31365013 0.78 LMNA (0.37) TP53LMNAHTTMEN1KMT2A
SCHEMBL14995049 0.75 MEN1 (0.38) TP53LMNAHTTMEN1KMT2A

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
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
CN-119638669-A Chemokine receptor antagonist, pharmaceutical composition and application 上海医药集团股份有限公司 2025-03-18 CN disclosed