SCHEMBL7687502

SCHEMBL7687502

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2B Q13224 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
NOTUM Q6P988 1/20 0.35
ROCK2 O75116 1/20 0.34
KDM4E B2RXH2 1/20 0.34
P2RX7 Q99572 1/20 0.34
P2RX3 P56373 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL7669141 0.90 TP53 (0.44) TP53MAPTLMNASMN1; SMN2HPGD
SCHEMBL7674200 0.90 TP53 (0.40) TP53MAPTLMNATHRBSMN1; SMN2
SCHEMBL7672519 0.90 TP53 (0.38) TP53MAPTLMNASMN1; SMN2GRIN2B
SCHEMBL7674096 0.89 KCNH2 (0.38) TP53MAPTLMNATHRBSMN1; SMN2
SCHEMBL7671400 0.89 TP53 (0.41) TP53MAPTLMNATHRBSMN1; SMN2
SCHEMBL7671615 0.89 HPGD (0.41) TP53MAPTLMNASMN1; SMN2HPGD
SCHEMBL7826844 0.89 MEN1 (0.38) TP53MAPTLMNATHRBSMN1; SMN2
SCHEMBL7669474 0.88 ROCK2 (0.40) TP53MAPTLMNATHRBSMN1; SMN2
SCHEMBL7673934 0.86 LMNA (0.41) TP53MAPTLMNATHRBSMN1; SMN2
SCHEMBL7662211 0.85 GRIN1 (0.38) TP53MAPTLMNAGRIN2BHPGD

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