SCHEMBL6984764

SCHEMBL6984764

COC(=O)Oc1ccc2scnc2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
JAK2 O60674 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MALT1 Q9UDY8 1/20 0.34
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CUL4A Q13619 2/20 0.32

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
SCHEMBL6982304 0.85 KDM4E (0.39) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL7158040 0.76 CA12 (0.40) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6184828 0.74 CYP3A4 (0.46) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL6982298 0.70 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL8980273 0.70 CA12 (0.47) KDM4EALDH1A1MAPTHTTKMT2A
SCHEMBL8980196 0.70 KDM4E (0.35) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL984617 0.69 NCEH1 (0.46) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5544044 0.69 ALDH1A1 (0.33) KDM4EHSD17B10ALDH1A1HTTNPC1
SCHEMBL5544035 0.69 ALDH1A1 (0.33) KDM4EHSD17B10ALDH1A1SMN1; SMN2NPC1
SCHEMBL7458773 0.68 ALDH1A1 (0.35) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177194-B1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AG (DE) 2003-09-17 EP disclosed
EP-1177194-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068228-A1 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed