SCHEMBL7674096

SCHEMBL7674096

COc1nn(C)c(=O)n1Cc1cc(-c2ccc(Cl)c(Cl)c2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HSD11B1 P28845 1/20 0.36
CBX7 O95931 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HPGD P15428 1/20 0.35
ROCK2 O75116 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL7687502 0.89 TP53 (0.39) KCNH2TP53SMN1; SMN2MEN1KMT2A
SCHEMBL7673934 0.87 LMNA (0.41) TP53SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7669141 0.87 TP53 (0.44) TP53SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7672519 0.86 TP53 (0.38) TP53SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7671400 0.86 TP53 (0.41) TP53SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7671615 0.86 HPGD (0.41) TP53SMN1; SMN2LMNAMAPTHPGD
SCHEMBL7669474 0.85 ROCK2 (0.40) TP53SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7674200 0.84 TP53 (0.40) TP53SMN1; SMN2LMNAMAPTPOLB
SCHEMBL7672496 0.84 TP53 (0.41) TP53MEN1KMT2ALMNAMAPT
SCHEMBL7826844 0.83 MEN1 (0.38) KCNH2TP53SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed