SCHEMBL20177674

SCHEMBL20177674

N/N=C1\NC[C@@H](c2c(F)cc(Br)cc2F)[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
NAAA Q02083 1/20 0.40
TSHR P16473 1/20 0.40
FPR2 P25090 3/20 0.39
FPR1 P21462 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CCKBR P32239 1/20 0.38
CPB1 P15086 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL20177494 0.89 FPR2 (0.52) FPR2FPR1CA1CA2
SCHEMBL20177567 0.87 FPR2 (0.52) NAAAFPR2FPR1CTSL
SCHEMBL20177919 0.86 KDM1A (0.41) KDM1ANAAATSHRFPR2FPR1
SCHEMBL16785415 0.79 FPR2 (0.55) FPR2FPR1CA1CA2
SCHEMBL29434477 0.79 FPR2 (0.55) FPR2FPR1CA1CA2
SCHEMBL20177635 0.78 KDM1A (0.41) KDM1ANAAATSHRALDH1A1GAA
SCHEMBL20177852 0.78 FPR2 (0.42) NAAAFPR2FPR1
SCHEMBL20177510 0.77 FPR2 (0.52) NAAAFPR2FPR1CTSL
SCHEMBL20177720 0.77 NAAA (0.41) NAAATSHRFPR2FPR1ALDH1A1
SCHEMBL22068867 0.77 FPR2 (0.49) FPR2FPR1CA1CA2

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