SCHEMBL20177949

SCHEMBL20177949

COc1ccc(COC(=O)N[C@@H]2C(=S)NC[C@H]2c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 8/20 0.52
FPR2 P25090 7/20 0.52
REN P00797 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
NAAA Q02083 1/20 0.41
ASAH1 Q13510 1/20 0.41

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
SCHEMBL20177637 0.90 FPR1 (0.44) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177511 0.89 FPR2 (0.67) FPR1FPR2RENNAAAASAH1
SCHEMBL20177914 0.85 FPR1 (0.43) FPR1FPR2SMN1; SMN2LMNAPOLB
SCHEMBL20177501 0.85 FPR2 (0.47) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177940 0.82 FPR1 (0.47) FPR1FPR2RENSMN1; SMN2LMNA
SCHEMBL20177677 0.81 FPR1 (0.40) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177552 0.81 EDNRB (0.40) SMN1; SMN2PKMHTTNAAAASAH1
SCHEMBL20177658 0.80 FPR2 (0.48) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177604 0.79 FPR2 (0.47) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177842 0.79 FPR1 (0.53) 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