SCHEMBL20177669

SCHEMBL20177669

COc1ccc(COC(=O)N[C@@H]2C(=S)NC[C@H]2c2ccc(Br)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 7/20 0.43
FPR2 P25090 6/20 0.43
KCNQ2 O43526 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAAA Q02083 5/20 0.38
ASAH1 Q13510 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL20177599 0.90 FPR2 (0.54) FPR1FPR2NAAAASAH1
SCHEMBL20177914 0.89 FPR1 (0.43) FPR1FPR2KCNQ2PKMHTT
SCHEMBL20177604 0.89 FPR2 (0.47) FPR1FPR2KCNQ2PKMHTT
SCHEMBL20177677 0.86 FPR1 (0.40) FPR1FPR2KCNQ2PKMHTT
SCHEMBL20177637 0.85 FPR1 (0.44) FPR1FPR2PKMHTTSMN1; SMN2
SCHEMBL20177879 0.83 FPR2 (0.39) FPR1FPR2KCNQ2PKMHTT
SCHEMBL20177658 0.83 FPR2 (0.48) FPR1FPR2KCNQ2PKMHTT
SCHEMBL20177501 0.82 FPR2 (0.47) FPR1FPR2PKMHTTSMN1; SMN2
SCHEMBL20177901 0.80 FPR2 (0.49) FPR1FPR2NAAAASAH1
SCHEMBL20177911 0.79 FPR2 (0.55) FPR1FPR2NAAAASAH1

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