SCHEMBL31364892

SCHEMBL31364892

C[C@@H](Nc1cc(Br)c(F)cc1N)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SCN1A P35498 4/20 0.36
SCN5A Q14524 4/20 0.36
SCN8A Q9UQD0 4/20 0.36
IDH1 O75874 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
PPARG P37231 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
SCHEMBL31365057 0.88 LMNA (0.45) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364997 0.86 LMNA (0.43) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364959 0.80 TP53 (0.45) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364955 0.80 TSHR (0.40) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364893 0.80 TP53 (0.42) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364956 0.77 LMNA (0.42) LMNAHTTTP53MEN1KMT2A
SCHEMBL14995049 0.75 MEN1 (0.38) LMNAHTTTP53MEN1KMT2A
SCHEMBL14995048 0.75 MEN1 (0.38) LMNAHTTTP53MEN1KMT2A
SCHEMBL31365037 0.75 TP53 (0.45) LMNAHTTTP53MEN1KMT2A
SCHEMBL3127450 0.74 EGFR (0.40) SCN1ASCN5ASCN8A

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