SCHEMBL22201849

SCHEMBL22201849

C=Cc1ccnc2c1c(/C=C(\C#N)C(=O)O)cn2Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.37
▸ SNCA P37840 4/20 0.37
▸ ENPP2 Q13822 2/20 0.36
▸ RPS6KA3 P51812 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ESRRA P11474 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ EGFR P00533 2/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.31

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
SCHEMBL20603140 0.89 APP (0.38) APPSNCAENPP2RPS6KA3JAK3
SCHEMBL22201850 0.89 APP (0.38) APPSNCAENPP2RPS6KA3JAK3
SCHEMBL28377336 0.89 APP (0.38) APPSNCAENPP2RPS6KA3JAK3
SCHEMBL22201823 0.89 APP (0.38) APPSNCAENPP2RPS6KA3JAK3
SCHEMBL30426742 0.89 APP (0.38) APPSNCAENPP2RPS6KA3JAK3
SCHEMBL22201854 0.88 APP (0.37) APPSNCAENPP2RPS6KA3JAK3
SCHEMBL22201855 0.88 APP (0.37) APPSNCAENPP2RPS6KA3JAK3
SCHEMBL22201814 0.88 ENPP2 (0.38) APPSNCAENPP2RPS6KA3JAK3
SCHEMBL20603154 0.88 APP (0.39) APPSNCAENPP2RPS6KA3JAK3
SCHEMBL28380649 0.88 APP (0.39) APPSNCAENPP2RPS6KA3JAK3

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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