SCHEMBL7669474

SCHEMBL7669474

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.40
TP53 P04637 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HPGD P15428 1/20 0.36
P2RX7 Q99572 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7689852 0.92 TP53 (0.37) ROCK2TP53LMNAMAPTGRIN1
SCHEMBL7669141 0.90 TP53 (0.44) ROCK2TP53LMNAMAPTHPGD
SCHEMBL7667864 0.90 GRIN1 (0.42) ROCK2TP53LMNAMAPTGRIN1
SCHEMBL7671615 0.89 HPGD (0.41) TP53LMNAMAPTHPGDP2RX7
SCHEMBL7671400 0.89 TP53 (0.41) TP53LMNAMAPTTHRBHPGD
SCHEMBL7687502 0.88 TP53 (0.39) ROCK2TP53LMNAMAPTTHRB
SCHEMBL7662211 0.85 GRIN1 (0.38) ROCK2TP53LMNAMAPTGRIN1
SCHEMBL7660472 0.85 LMNA (0.41) ROCK2TP53LMNAMAPTHPGD
SCHEMBL7674096 0.85 KCNH2 (0.38) ROCK2TP53LMNAMAPTTHRB
SCHEMBL7672496 0.85 TP53 (0.41) TP53LMNAMAPTGRIN1GRIN2B

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