SCHEMBL28064616

SCHEMBL28064616

NC(=O)c1cc2cccc(-c3ccc(F)c(F)c3F)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.40
RIPK1 Q13546 4/20 0.40
DAO P14920 1/20 0.36
DDO Q99489 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
APEX1 P27695 1/20 0.36
EIF4A3 P38919 1/20 0.35
PARP1 P09874 1/20 0.35
BTK Q06187 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
SCHEMBL16571726 0.85 GRM2 (0.48) HRH4RIPK1MEN1KMT2AMAPK1
SCHEMBL30555176 0.81 RIPK1 (0.37) HRH4RIPK1DAODDOMEN1
SCHEMBL7942068 0.81 HRH4 (0.57) HRH4DAODDOMEN1USP2
SCHEMBL29990795 0.81 EIF4A3 (0.48) HRH4MEN1USP2ALDH1A1HPGD
SCHEMBL24074547 0.79 GRM2 (0.44) HRH4MEN1USP2ALDH1A1HPGD
SCHEMBL30494448 0.78 HPGD (0.53) HRH4RIPK1DAODDOMEN1
SCHEMBL29053576 0.78 HPGD (0.53) HRH4RIPK1DAODDOMEN1
SCHEMBL30494484 0.77 HPGD (0.46) RIPK1DAOMEN1USP2ALDH1A1
SCHEMBL28064535 0.77 HPGD (0.46) RIPK1DAOMEN1USP2ALDH1A1
SCHEMBL28064557 0.73 HDAC11 (0.47) HRH4MAPTPARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105555763-A Indole-carboxamide derivatives HOFFMANN LA ROCHE 2016-05-04 CN claimed
CN-105555763-A Indole-carboxamide derivatives HOFFMANN LA ROCHE 2016-05-04 CN disclosed