SCHEMBL20177914

SCHEMBL20177914

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 11/20 0.43
FPR2 P25090 10/20 0.43
GPBAR1 Q8TDU6 1/20 0.39
KCNQ2 O43526 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
NAAA Q02083 1/20 0.38
ASAH1 Q13510 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 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
SCHEMBL20177911 0.90 FPR2 (0.55) FPR1FPR2NAAAASAH1
SCHEMBL20177669 0.89 FPR1 (0.43) FPR1FPR2KCNQ2SMN1; SMN2PKM
SCHEMBL20177677 0.89 FPR1 (0.40) FPR1FPR2KCNQ2SMN1; SMN2PKM
SCHEMBL20177501 0.89 FPR2 (0.47) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177949 0.85 FPR1 (0.52) FPR1FPR2GPBAR1SMN1; SMN2PKM
SCHEMBL20177574 0.83 FPR1 (0.39) FPR1FPR2GPBAR1KCNQ2SMN1; SMN2
SCHEMBL20177658 0.83 FPR2 (0.48) FPR1FPR2KCNQ2SMN1; SMN2PKM
SCHEMBL20177604 0.82 FPR2 (0.47) FPR1FPR2KCNQ2SMN1; SMN2PKM
SCHEMBL20177513 0.80 FPR1 (0.37) FPR1FPR2GPBAR1KCNQ2SMN1; SMN2
SCHEMBL20177901 0.80 FPR2 (0.49) 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