SCHEMBL31387648

SCHEMBL31387648

CC(C(N)=O)c1ccc(Br)c(Cl)c1F

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 1/20 0.38
▸ APP P05067 1/20 0.38
▸ EPHX1 P07099 2/20 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
SCHEMBL31387736 0.82 CXCL8 (0.39) CXCL8APPEPHX1
SCHEMBL22483860 0.77 EIF4A3 (0.33) —
SCHEMBL21996264 0.70 DGAT1 (0.47) —
SCHEMBL22289631 0.70 MDM2 (0.43) CXCL8APP
SCHEMBL18839300 0.70 DGAT1 (0.51) APPEPHX1
SCHEMBL4685960 0.68 CXCL8 (0.47) CXCL8EPHX1
SCHEMBL1822227 0.68 GAA (0.49) CXCL8APP
SCHEMBL26050842 0.67 CYP1A2 (0.46) —
SCHEMBL31387656 0.67 ICMT (0.35) —
SCHEMBL12533352 0.66 P2RX7 (0.31) —

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
CN-112513050-B Heterocyclic compounds which inhibit SHP2 activity 大鹏药品工业株式会社 2024-12-20 — — CN disclosed
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