SCHEMBL27440741

SCHEMBL27440741

CC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(C(F)(F)F)c2)c2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.52
▸ SNCA P37840 4/20 0.52
▸ ENPP2 Q13822 2/20 0.46
▸ MAPT P10636 4/20 0.40
▸ THRB P10828 1/20 0.40
▸ SCD O00767 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ KCNN4 O15554 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27440440 0.92 APP (0.55) APPSNCAENPP2MAPTTHRB
SCHEMBL31050165 0.92 APP (0.55) APPSNCAENPP2MAPTTHRB
SCHEMBL27440995 0.86 APP (0.51) APPSNCAENPP2MAPTTHRB
SCHEMBL24163776 0.85 APP (0.60) APPSNCAENPP2MAPTTHRB
SCHEMBL27440660 0.84 APP (0.59) APPSNCAENPP2MAPTTHRB
SCHEMBL27440721 0.84 APP (0.48) APPSNCAENPP2MAPTLMNA
SCHEMBL27440509 0.84 SNCA (0.72) APPSNCAENPP2THRBPTGDR2
SCHEMBL27440427 0.83 APP (0.46) APPSNCAENPP2SCDPTGDR2
SCHEMBL27440621 0.82 PTGDR2 (0.49) APPSNCAENPP2PTGDR2
SCHEMBL27440276 0.82 ENPP2 (0.52) APPSNCAENPP2MAPTTHRB

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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