SCHEMBL20177904

SCHEMBL20177904

CCOc1cc(F)c([C@@H]2CNC(=S)C2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
PDE4A P27815 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
TTK P33981 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
PSMB8 P28062 1/20 0.30

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
SCHEMBL20177630 0.84 FPR1 (0.38) FPR2
SCHEMBL19559432 0.83 PDE4A (0.49) FPR2PDE4A
SCHEMBL20177660 0.83 PDE4A (0.49) FPR2PDE4A
SCHEMBL20177812 0.77
SCHEMBL20177917 0.75 KDM1A (0.31)
SCHEMBL20177721 0.75
SCHEMBL20177607 0.75 KDM1A (0.31)
SCHEMBL20177507 0.74 FPR2 (0.36) FPR2
SCHEMBL20177907 0.71 FPR2 (0.32) FPR2
SCHEMBL29434225 0.67 FPR2 (0.57) FPR2PDE4A

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-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed