SCHEMBL6965114

SCHEMBL6965114

OC/C=C/c1cc2ccccc2nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 5/20 0.46
TLR8 Q9NR97 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
GSK3B P49841 1/20 0.44
MEN1 O00255 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GLA P06280 2/20 0.40

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
SCHEMBL6965120 1.00 ALOX5 (0.52) ALOX5KMT2AALDH1A1KDM4ETLR8
SCHEMBL6963715 0.77 ALDH1A1 (0.50) KMT2AALDH1A1KDM4ETLR8MEN1
SCHEMBL6963711 0.77 ALDH1A1 (0.50) KMT2AALDH1A1KDM4ETLR8MEN1
SCHEMBL6958102 0.76 ALOX5 (0.65) ALOX5KMT2AALDH1A1KDM4EHCAR2
SCHEMBL6958095 0.76 ALOX5 (0.65) ALOX5KMT2AALDH1A1KDM4EHCAR2
SCHEMBL13359392 0.75 ALOX5 (0.53) ALOX5KMT2AALDH1A1KDM4EHCAR2
SCHEMBL15722176 0.74 ALDH1A1 (0.51) ALOX5KMT2AALDH1A1KDM4EHCAR2
SCHEMBL372264 0.74 ALDH1A1 (0.62) ALOX5KMT2AALDH1A1KDM4EGSK3B
SCHEMBL5904736 0.73 KMT2A (0.60) ALOX5KMT2AALDH1A1KDM4EGSK3B
SCHEMBL5904733 0.73 KMT2A (0.60) ALOX5KMT2AALDH1A1KDM4EGSK3B

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