SCHEMBL8069740

SCHEMBL8069740

CC(C)(C)CCOc1c(Cl)cc(CN)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.41
PLAU P00749 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LOX P28300 2/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
MCHR1 Q99705 1/20 0.31
KMT2A Q03164 1/20 0.31
LOXL3 P58215 1/20 0.31

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
SCHEMBL8079129 0.76 THRA (0.44) CSNK2A1PLAUMAPTHPGDMAPK1
SCHEMBL3119032 0.76 CSNK2A1 (0.47) CSNK2A1PLAUSMN1; SMN2NPC1HPGD
SCHEMBL8069710 0.75 CSNK2A1 (0.41) CSNK2A1PLAUSMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL3110560 0.74 CSNK2A1 (0.49) CSNK2A1SMN1; SMN2NPC1HPGDGLA
SCHEMBL6943761 0.71 KDM4E (0.48) CSNK2A1SMN1; SMN2LOXLOXL2KMT2A
Hydrochloric Acid SCHEMBL3113761 0.70 KDM4E (0.47) CSNK2A1SMN1; SMN2LOXLOXL2KMT2A
SCHEMBL506565 0.69 KEAP1 (0.58) SMN1; SMN2
SCHEMBL23573785 0.68 CSNK2A1 (0.38) CSNK2A1PLAUSMN1; SMN2MAPTHPGD
SCHEMBL12958183 0.67 LMNA (0.44) CSNK2A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL19598863 0.67 CSNK2A1 (0.54) CSNK2A1SMN1; SMN2NPC1HPGDGLA

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-0634403-B1 N-polyhalobenzyl-pyrazole carboxamides endowed with acaricidal and insecticidal activity ISAGRO SPA (IT) 2000-09-13 EP disclosed
US-5541214-A N-polyhalobenzyl-pyrazole carboxamides endowed with acaricidal and insecticidal activity ISAGRO S.P.A. (IT) 1996-07-30 US disclosed
EP-0634403-A1 N-polyhalobenzyl-pyrazole carboxamides endowed with acaricidal and insecticidal activity ISAGRO S.p.A. (IT) 1995-01-18 EP disclosed