SCHEMBL31364997

SCHEMBL31364997

Cc1cc(N)c(N[C@H](C)c2ccc(Cl)cc2Cl)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
CYP3A4 P08684 2/20 0.36
SOS1 Q07889 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 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 0.89 LMNA (0.45) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364892 0.86 LMNA (0.42) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364959 0.81 TP53 (0.45) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364850 0.79 TSHR (0.41) LMNAHTTTP53MEN1KMT2A
SCHEMBL31365025 0.79 TP53 (0.43) LMNAHTTTP53MEN1KMT2A
SCHEMBL31365034 0.76 LMNA (0.43) LMNAHTTTP53MEN1KMT2A
SCHEMBL31365037 0.76 TP53 (0.45) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364796 0.74 KMT2A (0.46) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364956 0.73 LMNA (0.42) LMNAHTTTP53MEN1KMT2A
SCHEMBL31364893 0.73 TP53 (0.42) LMNAHTTTP53MEN1KMT2A

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