SCHEMBL7669141

SCHEMBL7669141

COc1nn(C)c(=O)n1Cc1cc(-c2ccc(C)cc2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
XBP1 P17861 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7671400 0.91 TP53 (0.41) TP53MAPTLMNAMEN1KMT2A
SCHEMBL21675908 0.91 HPGD (0.41) TP53MAPTLMNAHPGDSMN1; SMN2
SCHEMBL7671615 0.91 HPGD (0.41) TP53MAPTLMNAHPGDSMN1; SMN2
SCHEMBL7669474 0.90 ROCK2 (0.40) TP53MAPTLMNAMEN1KMT2A
SCHEMBL7687502 0.90 TP53 (0.39) TP53MAPTLMNAMEN1KMT2A
SCHEMBL7672496 0.89 TP53 (0.41) TP53MAPTLMNAMEN1KMT2A
SCHEMBL7662211 0.87 GRIN1 (0.38) TP53MAPTLMNAHPGDKDM4E
SCHEMBL7689852 0.87 TP53 (0.37) TP53MAPTLMNAMEN1KMT2A
SCHEMBL7674096 0.87 KCNH2 (0.38) TP53MAPTLMNAMEN1KMT2A
SCHEMBL7672519 0.85 TP53 (0.38) TP53MAPTLMNAMEN1KMT2A

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