SCHEMBL31364820

SCHEMBL31364820

C[C@H](c1ccc(Cl)cc1Cl)n1nnc2c(Cl)cc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CCR4 P51679 15/20 0.34
▸ P2RX7 Q99572 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL31365023 0.91 LMNA (0.33) LMNATP53HTT
SCHEMBL31364833 0.90 LMNA (0.37) LMNATP53HTTCCR4P2RX7
SCHEMBL31364789 0.89 TP53 (0.36) LMNATP53HTTCCR4P2RX7
SCHEMBL31364973 0.89 LMNA (0.36) LMNATP53HTTCCR4P2RX7
SCHEMBL31531580 0.89 LMNA (0.36) LMNATP53HTTCCR4P2RX7
SCHEMBL31531563 0.88 LMNA (0.35) LMNATP53HTTCCR4P2RX7
SCHEMBL31364895 0.88 LMNA (0.35) LMNATP53HTTCCR4PDE2A
SCHEMBL31364817 0.88 GLP1R (0.36) LMNATP53HTTCCR4PDE2A
SCHEMBL31364967 0.88 LMNA (0.35) LMNATP53HTTCCR4P2RX7
SCHEMBL31364938 0.87 CCR4 (0.35) LMNATP53HTTCCR4P2RX7

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
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