SCHEMBL23865166

SCHEMBL23865166

CCCc1ccc(CN)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.39
MAOB P27338 2/20 0.38
AR P10275 2/20 0.38
LOX P28300 1/20 0.38
IDO1 P14902 4/20 0.37
S1PR1 P21453 3/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NSD2 O96028 1/20 0.35
PTPN1 P18031 1/20 0.35
CSNK2A1 P68400 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
NR1H2 P55055 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
SCHEMBL12107918 0.87 CNR1 (0.41) ARIDO1S1PR1PTPN1
SCHEMBL12114208 0.86 S1PR1 (0.37) ARIDO1S1PR1PTPN1
SCHEMBL23865022 0.84 S1PR1 (0.35) LOXL2MAOBLOXIDO1S1PR1
SCHEMBL3898701 0.83 S1PR1 (0.36) ARIDO1S1PR1PTPN1NR1H2
SCHEMBL3908063 0.83 KIF11 (0.42) ARIDO1S1PR1
SCHEMBL19430863 0.82 S1PR1 (0.36) LOXL2MAOBLOXIDO1S1PR1
SCHEMBL23865172 0.80 PTPN7 (0.45) MAOBS1PR1CSNK2A1
SCHEMBL23865129 0.80 TAAR1 (0.53) MAOBIDO1TAAR1
SCHEMBL4550353 0.79 LOXL2 (0.41) LOXL2MAOBLOXIDO1TAAR1
SCHEMBL11802082 0.79 NR1H2 (0.53) ARIDO1S1PR1PTPN1HTR2A

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
EP-3436451-B1 SPHINGOSINE KINASE INHIBITOR AMIDOXIME PRODRUGS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-09-29 EP disclosed