SCHEMBL8083885

SCHEMBL8083885

CCCCCc1c(F)c(F)c(CN)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
DNM1 Q05193 8/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP19A1 P11511 1/20 0.34
TLR8 Q9NR97 4/20 0.33
TLR7 Q9NYK1 1/20 0.33
TYMP P19971 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 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
SCHEMBL8079087 0.93 NPC1 (0.34) HTR2ADNM1MEN1KMT2AALDH1A1
SCHEMBL10446746 0.85 CYP19A1 (0.38) HTR2AMEN1KMT2AALDH1A1TSHR
Hexane SCHEMBL27851252 0.85 CYP19A1 (0.38) HTR2AMEN1KMT2AALDH1A1TSHR
SCHEMBL1687611 0.83 TSHR (0.42) HTR2ADNM1MEN1KMT2AALDH1A1
SCHEMBL27299525 0.83 TSHR (0.42) HTR2ADNM1MEN1KMT2AALDH1A1
SCHEMBL28164639 0.83 TSHR (0.42) HTR2ADNM1MEN1KMT2AALDH1A1
SCHEMBL26406724 0.81 TSHR (0.40) HTR2ADNM1MEN1KMT2AALDH1A1
SCHEMBL26028589 0.80 HTR2A (0.43) HTR2ADNM1MEN1KMT2AALDH1A1
SCHEMBL24017146 0.79 TSHR (0.38) HTR2ADNM1MEN1KMT2AALDH1A1
SCHEMBL9506529 0.79 CYP19A1 (0.35) TSHRCYP19A1TYMP

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