SCHEMBL8069600

SCHEMBL8069600

COc1cc(OC)nc(C(=O)c2ncc[nH]2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
BRAF P15056 1/20 0.42
HDAC1 Q13547 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMPD3 Q9NY59 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
F2RL1 P55085 1/20 0.34
TXNRD1 Q16881 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
SCHEMBL10181023 0.77 CYP1A2 (0.53) KMT2ACYP1A2ALDH1A1KDM4ELMNA
SCHEMBL9133524 0.75 NPC1 (0.35) NPC1RAB9ABRAFHDAC1KMT2A
SCHEMBL1324 0.73 NPC1 (0.62) NPC1RAB9ABRAFHDAC1KMT2A
Acetone SCHEMBL27732294 0.72 NPC1 (0.61) NPC1RAB9ABRAFHDAC1KMT2A
SCHEMBL28449908 0.71 NPC1 (0.60) NPC1RAB9ABRAFHDAC1KMT2A
Hydrogen Sulfide SCHEMBL28438010 0.71 NPC1 (0.60) NPC1RAB9ABRAFHDAC1KMT2A
SCHEMBL10952701 0.71 NPC1 (0.60) NPC1RAB9ABRAFHDAC1KMT2A
Ammonia Solution, Strong SCHEMBL16266978 0.71 NPC1 (0.60) NPC1RAB9ABRAFHDAC1KMT2A
Bromide SCHEMBL7371333 0.71 NPC1 (0.60) NPC1RAB9ABRAFHDAC1KMT2A
Hydrochloric Acid SCHEMBL3543004 0.71 NPC1 (0.60) NPC1RAB9ABRAFHDAC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592680-B1 N-sulfonated carboxamide derivatives as fungicides for plants KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
US-5536837-A PLANT FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-07-16 US disclosed
US-5478799-A Herbicide for weeds and fungicide for crops KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-12-26 US disclosed
US-5444060-A Applying to control pathogenic fungi KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-08-22 US disclosed
EP-0592680-A1 N-SULFONYLATED, SIX-MEMBERED NITROGENOUS AROMATIC CARBOXAMIDE DERIVATIVE OR SALT THEREOF, PRODUCTION THEREOF, AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-04-20 EP disclosed