SCHEMBL7689852

SCHEMBL7689852

COc1nn(C)c(=O)n1Cc1cc(-c2cc(F)cc(F)c2)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
P2RX7 Q99572 5/20 0.37
ROCK2 O75116 4/20 0.36
HPGD P15428 1/20 0.35
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 2/20 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
SCHEMBL7669474 0.92 ROCK2 (0.40) TP53LMNAMAPTP2RX7ROCK2
SCHEMBL7667864 0.91 GRIN1 (0.42) TP53LMNAMAPTP2RX7ROCK2
SCHEMBL7669141 0.87 TP53 (0.44) TP53LMNAMAPTROCK2HPGD
SCHEMBL7671615 0.86 HPGD (0.41) TP53LMNAMAPTP2RX7HPGD
SCHEMBL7671400 0.86 TP53 (0.41) TP53LMNAMAPTHPGDMEN1
SCHEMBL7687502 0.85 TP53 (0.39) TP53LMNAMAPTP2RX7ROCK2
SCHEMBL7660472 0.84 LMNA (0.41) TP53LMNAMAPTROCK2HPGD
SCHEMBL7674096 0.84 KCNH2 (0.38) TP53LMNAMAPTROCK2HPGD
SCHEMBL7672496 0.84 TP53 (0.41) TP53LMNAMAPTHPGDGRIN1
SCHEMBL7662211 0.82 GRIN1 (0.38) TP53LMNAMAPTROCK2HPGD

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