SCHEMBL20177659

SCHEMBL20177659

COc1ccc(COC(=O)N[C@@H]2c3noc(=O)n3C[C@H]2c2ccc(Br)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
FPR1 P21462 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FPR2 P25090 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MIF P14174 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL20177642 0.81 SMN1; SMN2 (0.39) HTTPKMSMN1; SMN2ALDH1A1KMT2A
SCHEMBL20177842 0.76 FPR1 (0.53) FPR1FPR2
SCHEMBL20177846 0.75 KDM1A (0.40) HTTPKMSMN1; SMN2ALDH1A1KMT2A
SCHEMBL20177565 0.74 FPR1 (0.43) HTTPKMSMN1; SMN2ALDH1A1KMT2A
SCHEMBL20177637 0.73 FPR1 (0.44) HTTPKMSMN1; SMN2ALDH1A1KMT2A
SCHEMBL20177925 0.70 FPR2 (0.46) HTTPKMSMN1; SMN2ALDH1A1KMT2A
SCHEMBL20177499 0.69 SMN1; SMN2 (0.37) HTTPKMSMN1; SMN2ALDH1A1MAPT
SCHEMBL20177614 0.67 CTSL (0.42) ALDH1A1KMT2AFPR2MEN1GAA
SCHEMBL20177511 0.66 FPR2 (0.67) FPR1FPR2
SCHEMBL20177886 0.66 FPR2 (0.50) HTTPKMSMN1; SMN2ALDH1A1KMT2A

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