SCHEMBL24164716

SCHEMBL24164716

C/C(C#N)=C/c1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 7/20 0.57
▸ APP P05067 7/20 0.57
▸ ENPP2 Q13822 1/20 0.45
▸ ELANE P08246 2/20 0.37
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL26552290 0.94 SNCA (0.53) SNCAAPPENPP2ELANECNR1
SCHEMBL25773497 0.89 SNCA (0.53) SNCAAPPENPP2ELANECNR1
SCHEMBL20603144 0.85 APP (0.57) SNCAAPPENPP2ELANECNR1
SCHEMBL28377102 0.85 APP (0.57) SNCAAPPENPP2ELANECNR1
SCHEMBL20603150 0.85 SNCA (0.53) SNCAAPPENPP2ELANECNR1
SCHEMBL30426945 0.85 APP (0.53) SNCAAPPENPP2ELANEKDM4E
SCHEMBL20615280 0.84 SNCA (0.51) SNCAAPPENPP2ELANECNR1
SCHEMBL30426570 0.84 APP (0.51) SNCAAPPENPP2ELANEALDH1A1
SCHEMBL30426699 0.84 APP (0.51) SNCAAPPENPP2KDM4EALDH1A1
SCHEMBL30426119 0.84 APP (0.55) SNCAAPPENPP2ALDH1A1

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-2022006039-A1 COMPOSITIONS AND METHODS FOR MODULATING HAIR GROWTH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-06 — — WO disclosed
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