SCHEMBL8302443

SCHEMBL8302443

O=C(Cc1cc(Cl)ncn1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.43
PTPN1 P18031 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
EGFR P00533 1/20 0.39
ERBB3 P21860 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
BACE1 P56817 1/20 0.39
HTR7 P34969 1/20 0.38
PLOD2 O00469 1/20 0.38
IDO1 P14902 1/20 0.38
TP53 P04637 1/20 0.38
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5214600 0.79 RAB9A (0.61) RAB9ANPC1PTPN1KMT2AMEN1
SCHEMBL2980415 0.76 RAB9A (0.50) RAB9ANPC1PTPN1KMT2AMEN1
SCHEMBL4242598 0.75 RAB9A (0.53) RAB9ANPC1PTPN1KMT2AMEN1
SCHEMBL2932069 0.75 RAB9A (0.65) RAB9ANPC1PTPN1KMT2AMEN1
SCHEMBL5379828 0.74 RAB9A (0.59) RAB9ANPC1PTPN1KMT2AMEN1
SCHEMBL5349959 0.74 RAB9A (0.59) RAB9ANPC1PTPN1KMT2AMEN1
SCHEMBL8692527 0.73 AKR1B1 (0.35) KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL6641863 0.73 RAB9A (0.43) RAB9ANPC1TP53HSD17B10
SCHEMBL2010768 0.73 RAB9A (0.61) RAB9ANPC1PTPN1KMT2AMEN1
SCHEMBL2161557 0.73 RAB9A (0.57) RAB9ANPC1PTPN1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508469-B1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1999-03-03 EP disclosed
US-5493024-A 1,2-DIARYL-2-PROPEN-1-ONE CHEMICAL INTERMEDIATE COMPOUND DOWELANCO (US) 1996-02-20 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
US-5250532-A Moths. termites DOWELANCO (US) 1993-10-05 US disclosed
EP-0508469-A1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1992-10-14 EP disclosed