SCHEMBL17495176

SCHEMBL17495176

COC(=O)c1c(O)c2c([nH]c1=O)-c1cc3cc[nH]c3cc1SCC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
KDM4E B2RXH2 3/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
MAOB P27338 1/20 0.32
ABL1 P00519 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APP P05067 1/20 0.30
MAPT P10636 1/20 0.30
MAPK14 Q16539 2/20 0.30

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
SCHEMBL17494928 0.88 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17498163 0.74 USP2 (0.45) USP2KDM4EHTTGAAMEN1
SCHEMBL17494909 0.70
SCHEMBL17495040 0.70 KDR (0.31)
SCHEMBL17536033 0.68 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14741226 0.67 MPL (0.35) KDM4EHTTMEN1ALDH1A1KMT2A
SCHEMBL17536102 0.67 VHL (0.39) KDM4EHTTMEN1ALDH1A1HPGD
SCHEMBL17495115 0.66 KDM4E (0.35) KDM4EMAOBMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL17495111 0.65
SCHEMBL17495057 0.64

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-2016025932-A1 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed