SCHEMBL8689043

SCHEMBL8689043

COc1ccc2[nH]c3c(Cl)c4ccccc4nc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 8/20 0.52
HPGD P15428 4/20 0.52
TP53 P04637 2/20 0.52
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HSD17B10 Q99714 2/20 0.51
BCHE P06276 1/20 0.48
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
NQO1 P15559 1/20 0.47
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
NPC1 O15118 3/20 0.46

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
SCHEMBL8689444 0.84 PTGES (0.49) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL8691082 0.83 KDM4E (0.51) KDM4EPOLBALDH1A1HPGDGAA
SCHEMBL8479917 0.80 NPC1 (0.54) KDM4EPOLBALDH1A1TP53NPC1
SCHEMBL8483600 0.80 KDM4E (0.51) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL8479161 0.80 MAOA (0.42) KDM4EPOLBTP53KMT2AMEN1
Hydrochloric Acid SCHEMBL8480319 0.79 NPC1 (0.53) KDM4EPOLBTP53NPC1RAB9A
SCHEMBL8113168 0.77 SMN1; SMN2 (0.59) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL13739299 0.76 KMT2A (0.61) KDM4EPOLBALDH1A1HPGDHTT
SCHEMBL31219102 0.76 KDM4E (0.67) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL20139758 0.75 KDM4E (0.55) KDM4EPOLBALDH1A1HPGDTP53

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
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed