SCHEMBL22201813

SCHEMBL22201813

COC(=O)c1ccnc2c1c(/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 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.40
▸ SNCA P37840 2/20 0.40
▸ ENPP2 Q13822 2/20 0.37
▸ ESRRA P11474 1/20 0.37
▸ SLC16A1 P53985 3/20 0.36
▸ SLC16A3 O15427 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ PTGES O14684 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL22201872 0.92 PTGES (0.37) APPSNCAENPP2ESRRASLC16A1
SCHEMBL22201814 0.91 ENPP2 (0.38) APPSNCAENPP2ESRRASLC16A1
SCHEMBL22201871 0.90 ALDH1A1 (0.41) APPSNCASLC16A1ALDH1A1LMNA
SCHEMBL28377336 0.86 APP (0.38) APPSNCAENPP2ESRRAALDH1A1
SCHEMBL22201823 0.86 APP (0.38) APPSNCAENPP2ESRRAALDH1A1
SCHEMBL22201850 0.86 APP (0.38) APPSNCAENPP2ESRRAALDH1A1
SCHEMBL20603140 0.86 APP (0.38) APPSNCAENPP2ESRRAALDH1A1
SCHEMBL30426742 0.86 APP (0.38) APPSNCAENPP2ESRRAALDH1A1
SCHEMBL22201855 0.85 APP (0.37) APPSNCAENPP2ESRRASLC16A1
SCHEMBL22201854 0.85 APP (0.37) APPSNCAENPP2ESRRASLC16A1

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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