SCHEMBL27440427

SCHEMBL27440427

C=C(C)/C(C)=C/c1cn(Cc2ccc(Cl)c(C(F)(F)F)c2)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.46
▸ SNCA P37840 3/20 0.46
▸ KCNN4 O15554 2/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ SCD O00767 1/20 0.39
▸ CNR1 P21554 4/20 0.38
▸ CNR2 P34972 4/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ BRAF P15056 1/20 0.35

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
SCHEMBL27440741 0.83 APP (0.52) APPSNCAKCNN4PTGDR2SCD
SCHEMBL27440995 0.83 APP (0.51) APPSNCACNR1CNR2ENPP2
SCHEMBL27440440 0.80 APP (0.55) APPSNCAKCNN4PTGDR2SCD
SCHEMBL31050165 0.80 APP (0.55) APPSNCAKCNN4PTGDR2SCD
SCHEMBL25773497 0.72 SNCA (0.53) APPSNCACNR1CNR2ENPP2
SCHEMBL27440771 0.71 SNCA (0.54) APPSNCACNR1CNR2ENPP2
SCHEMBL27440276 0.70 ENPP2 (0.52) APPSNCAPTGDR2ENPP2
SCHEMBL24164716 0.69 SNCA (0.57) APPSNCAPTGDR2CNR1CNR2
SCHEMBL24164335 0.69 SNCA (0.57) APPSNCACNR1CNR2ENPP2
SCHEMBL25807846 0.69 SNCA (0.54) APPSNCAPTGDR2CNR1CNR2

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
WO-2024145369-A1 COMPOUNDS FOR TREATMENT OF HAIR LOSS PELAGE PHARMACEUTICALS, INC. (US) 2024-07-04 — — WO disclosed
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