SCHEMBL6958102

SCHEMBL6958102

O=C(O)C=Cc1cc2ccccc2nc1Cl

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.65
KDM4E B2RXH2 4/20 0.59
GAA P10253 3/20 0.59
ALDH1A1 P00352 2/20 0.59
HCAR2 Q8TDS4 1/20 0.58
LMNA P02545 2/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GSK3B P49841 1/20 0.46
KDR P35968 2/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL6958095 1.00 ALOX5 (0.65) ALOX5KDM4EGAAALDH1A1HCAR2
SCHEMBL20513133 0.87 ALOX5 (0.81) ALOX5KDM4EGAAHCAR2KMT2A
SCHEMBL20513134 0.87 ALOX5 (0.81) ALOX5KDM4EGAAHCAR2KMT2A
SCHEMBL6071017 0.82 ALOX5 (0.60) ALOX5KDM4EGAAALDH1A1HCAR2
SCHEMBL6071014 0.82 ALOX5 (0.60) ALOX5KDM4EGAAALDH1A1HCAR2
SCHEMBL2398701 0.79 MEN1 (0.61) ALOX5KDM4EGAAHCAR2LMNA
SCHEMBL2398703 0.79 MEN1 (0.61) ALOX5KDM4EGAAHCAR2LMNA
SCHEMBL13359392 0.78 ALOX5 (0.53) ALOX5KDM4EGAAALDH1A1HCAR2
SCHEMBL8746635 0.77 CA1 (0.59) KDM4EGAAALDH1A1HCAR2LMNA
SCHEMBL20513109 0.76 ALOX5 (0.62) ALOX5KDM4EALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed