SCHEMBL9135341

SCHEMBL9135341

O=C(Cc1cc(C(F)(F)F)ns1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.40
PTPN1 P18031 2/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTNNB1 P35222 3/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTR7 P34969 1/20 0.36
HSD11B1 P28845 3/20 0.36
PRMT3 O60678 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
WNT3A P56704 2/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL9135797 0.89 PTPN1 (0.47) PTPN1ALDH1A1HSD11B1CES2CES1
SCHEMBL9135866 0.87 MAPT (0.42) RAB9ANPC1CYP2C19ALDH1A1L3MBTL1
SCHEMBL9430229 0.74 LMNA (0.41) RAB9ANPC1HTTSMN1; SMN2
SCHEMBL9135960 0.71 RAB9A (0.44) PLOD2RAB9ANPC1PTPN1CYP3A4
SCHEMBL8303349 0.70 RAB9A (0.52) PLOD2RAB9ANPC1PTPN1CYP3A4
SCHEMBL24958741 0.69 SMARCA2 (0.33) SMARCA2SMARCA4
SCHEMBL9367356 0.67 SLC6A3 (0.49) PLOD2RAB9ANPC1PTPN1ALDH1A1
SCHEMBL6339735 0.66 PTPN1 (0.56) PLOD2RAB9ANPC1PTPN1HSD11B1
SCHEMBL11506303 0.66 POLB (0.60) RAB9ANPC1PTPN1ALDH1A1NPSR1
SCHEMBL4778027 0.66 RAB9A (0.43) PLOD2RAB9ANPC1PTPN1CTNNB1

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
US-5338856-A 3,4-N,trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1994-08-16 US claimed
US-5418247-A 3,4,N-trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1995-05-23 US disclosed
US-5324837-A 3,4-disubstituted-4,5-dihydro-1H-pyrazoles and a method of preparation DOWELANCO (US) 1994-06-28 US disclosed