SCHEMBL20177886

SCHEMBL20177886

COc1ccc(COC(=O)N[C@@H]2C3=NOCCN3C[C@H]2c2ccc(Br)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.50
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
KCNQ2 O43526 1/20 0.34
NOTUM Q6P988 1/20 0.34
CYP3A4 P08684 2/20 0.33
GRIN2B Q13224 1/20 0.33
HTR2A P28223 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL20177613 0.91 FPR2 (0.58) FPR2PKMHTTSMN1; SMN2LMNA
SCHEMBL20177944 0.91 FPR2 (0.50) FPR2PKMHTTSMN1; SMN2LMNA
SCHEMBL20177719 0.88 FPR2 (0.50) FPR2PKMHTTSMN1; SMN2ALDH1A1
SCHEMBL20177654 0.86 FPR2 (0.62) FPR2PKMHTTSMN1; SMN2ALDH1A1
SCHEMBL20177559 0.85 FPR2 (0.58) FPR2PKMHTTSMN1; SMN2ALDH1A1
SCHEMBL20177685 0.83 FPR2 (0.59) FPR2PKMHTTSMN1; SMN2ALDH1A1
SCHEMBL20177520 0.81 FPR2 (0.64) FPR2LMNAMAPTKCNQ2
SCHEMBL20177925 0.80 FPR2 (0.46) FPR2PKMHTTSMN1; SMN2LMNA
SCHEMBL20177489 0.78 FPR2 (0.44) FPR2PKMHTTSMN1; SMN2LMNA
SCHEMBL20177614 0.77 CTSL (0.42) FPR2ALDH1A1KMT2AMEN1

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