SCHEMBL17495015

SCHEMBL17495015

COC(=O)c1c(O)c2c(n(Cc3ccc(OC)cc3OC)c1=O)-c1cc(Cl)ccc1CCC2.O=C1CCCCc2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
EGLN1 Q9GZT9 3/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
F2 P00734 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
SCHEMBL14746276 0.90 EGLN1 (0.40) MAPTPOLBTDP1TSHREGLN1
SCHEMBL14745862 0.90 EGLN1 (0.40) MAPTPOLBTDP1TSHREGLN1
SCHEMBL17495073 0.81 EGLN1 (0.38) EGLN1ALDH1A1MEN1KMT2ATP53
SCHEMBL14741316 0.80 EGLN1 (0.39) MAPTPOLBTDP1TSHREGLN1
SCHEMBL14745744 0.80 EGLN1 (0.39) MAPTPOLBTSHREGLN1ALDH1A1
SCHEMBL14745965 0.80 EGLN1 (0.39) MAPTPOLBTDP1TSHREGLN1
SCHEMBL14746011 0.80 EGLN1 (0.42) TSHREGLN1ALDH1A1MEN1KMT2A
SCHEMBL14745710 0.79 EGLN1 (0.37) MAPTPOLBTDP1TSHREGLN1
SCHEMBL14746181 0.79 EGLN1 (0.37) MAPTPOLBTSHREGLN1ALDH1A1
SCHEMBL17895953 0.79 HPGD (0.42) MAPTPOLBTDP1TSHREGLN1

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