SCHEMBL22201814

SCHEMBL22201814

N#C/C(=C\c1cn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nccc(C(=O)O)c12)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.38
▸ APP P05067 4/20 0.37
▸ SNCA P37840 4/20 0.37
▸ RPS6KA3 P51812 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ESRRA P11474 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ SLC16A1 P53985 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ KDM4C Q9H3R0 2/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ ASPH Q12797 1/20 0.32
▸ KDM8 Q8N371 1/20 0.32

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
SCHEMBL22201813 0.91 APP (0.40) ENPP2APPSNCAESRRAKDM4E
SCHEMBL22201823 0.90 APP (0.38) ENPP2APPSNCARPS6KA3JAK3
SCHEMBL28377336 0.90 APP (0.38) ENPP2APPSNCARPS6KA3JAK3
SCHEMBL30426742 0.90 APP (0.38) ENPP2APPSNCARPS6KA3JAK3
SCHEMBL20603140 0.90 APP (0.38) ENPP2APPSNCARPS6KA3JAK3
SCHEMBL22201850 0.90 APP (0.38) ENPP2APPSNCARPS6KA3JAK3
SCHEMBL22201854 0.89 APP (0.37) ENPP2APPSNCARPS6KA3JAK3
SCHEMBL22201855 0.89 APP (0.37) ENPP2APPSNCARPS6KA3JAK3
SCHEMBL20603154 0.89 APP (0.39) ENPP2APPSNCARPS6KA3JAK3
SCHEMBL28380649 0.89 APP (0.39) ENPP2APPSNCARPS6KA3JAK3

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-2020142413-A1 COMPOSITIONS AND METHODS FOR MODULATING HAIR GROWTH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-09 — — WO disclosed
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