SCHEMBL27440509

SCHEMBL27440509

CC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ncccc12

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 6/20 0.72
▸ APP P05067 6/20 0.72
▸ ENPP2 Q13822 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ PKM P14618 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SLC16A1 P53985 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL27440181 0.91 SNCA (0.76) SNCAAPPENPP2ALDH1A1LMNA
SCHEMBL24163776 0.91 APP (0.60) SNCAAPPENPP2ALDH1A1LMNA
SCHEMBL27440660 0.90 APP (0.59) SNCAAPPENPP2ALDH1A1LMNA
SCHEMBL27440679 0.89 APP (0.58) SNCAAPPENPP2ALDH1A1LMNA
SCHEMBL27440633 0.86 APP (0.54) SNCAAPPENPP2ALDH1A1LMNA
SCHEMBL24164292 0.85 SNCA (0.66) SNCAAPPENPP2ALDH1A1LMNA
SCHEMBL27440741 0.84 APP (0.52) SNCAAPPENPP2ALDH1A1LMNA
SCHEMBL24164296 0.83 APP (0.64) SNCAAPPENPP2ALDH1A1LMNA
SCHEMBL26118424 0.83 SNCA (0.64) SNCAAPPENPP2ALDH1A1LMNA
SCHEMBL27440345 0.83 APP (0.60) SNCAAPPENPP2ALDH1A1LMNA

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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