SCHEMBL8069710

SCHEMBL8069710

CC(C)CCCOc1c(Cl)cc(CN)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.41
PLAU P00749 3/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN4A P35499 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
PNMT P11086 1/20 0.32
REN P00797 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 0.92 THRA (0.44) CSNK2A1PLAUTHRATHRBMAPT
SCHEMBL8069740 0.75 CSNK2A1 (0.41) CSNK2A1PLAUMAPTHPGDMAPK1
SCHEMBL3119032 0.74 CSNK2A1 (0.47) CSNK2A1PLAUTHRBHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL3110560 0.73 CSNK2A1 (0.49) CSNK2A1HPGDGLASMN1; SMN2POLB
SCHEMBL15301623 0.72 SPIN1 (0.38) CSNK2A1THRATHRBTDP1
SCHEMBL19549570 0.72 SPIN1 (0.38) CSNK2A1THRATHRBTDP1
SCHEMBL6943761 0.70 KDM4E (0.48) CSNK2A1SMN1; SMN2KMT2A
SCHEMBL8408909 0.70 ALOX5 (0.39) PLAUTHRATHRBMAPTHPGD
Hydrochloric Acid SCHEMBL3113761 0.69 KDM4E (0.47) CSNK2A1SMN1; SMN2KMT2A
SCHEMBL10602998 0.68 SCN4A (0.50) PLAUMAPTHPGDMAPK1L3MBTL1

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