SCHEMBL22669012

SCHEMBL22669012

FC(F)(F)c1ccncc1N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.48
CHKA P35790 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
AR P10275 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KDR P35968 1/20 0.40
SRPK2 P78362 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
SRPK3 Q9UPE1 1/20 0.40
LATS1 O95835 1/20 0.39
KMT2A Q03164 2/20 0.39
SCD5 Q86SK9 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22668992 0.98 NOTUM (0.47) NOTUMCHKATRPV1ARMAPT
SCHEMBL30582931 0.91 NOTUM (0.42) NOTUMCHKATRPV1ARMAPT
SCHEMBL30582874 0.91 NOTUM (0.42) NOTUMCHKATRPV1ARMAPT
SCHEMBL30582873 0.89 NOTUM (0.40) NOTUMCHKATRPV1ARMAPT
SCHEMBL30582898 0.89 NOTUM (0.40) NOTUMCHKATRPV1ARMAPT
SCHEMBL24008739 0.84 NOTUM (0.47) NOTUMCHKATRPV1ARMAPT
SCHEMBL22657890 0.81 PIM2 (0.39) NOTUMKMT2AGAA
SCHEMBL28705798 0.81 PIM2 (0.39) NOTUMKMT2AGAA
SCHEMBL27307160 0.79 CYP46A1 (0.40) TRPV1ARKMT2AMEN1CYP1A2
SCHEMBL30582883 0.78 NOTUM (0.42) NOTUMCHKATRPV1MAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021224864-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO disclosed
WO-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 WO disclosed