SCHEMBL24163776

SCHEMBL24163776

CC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.60
▸ SNCA P37840 5/20 0.60
▸ ENPP2 Q13822 2/20 0.51
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SLC16A1 P53985 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 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
SCHEMBL24164296 0.91 APP (0.64) APPSNCAENPP2CNR1CNR2
SCHEMBL27440509 0.91 SNCA (0.72) APPSNCAENPP2CNR1CNR2
SCHEMBL27440660 0.85 APP (0.59) APPSNCAENPP2CNR1CNR2
SCHEMBL27440741 0.85 APP (0.52) APPSNCAENPP2MAPTALDH1A1
SCHEMBL27440679 0.84 APP (0.58) APPSNCAENPP2MAPTMEN1
SCHEMBL27440633 0.83 APP (0.54) APPSNCAENPP2CNR1CNR2
SCHEMBL27440181 0.82 SNCA (0.76) APPSNCAENPP2CNR1CNR2
SCHEMBL24163770 0.82 SNCA (0.62) APPSNCAENPP2CNR1CNR2
SCHEMBL17968554 0.82 ENPP2 (0.74) APPSNCAENPP2CNR1CNR2
SCHEMBL17968556 0.82 ENPP2 (0.74) APPSNCAENPP2CNR1CNR2

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-2022006040-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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