SCHEMBL8296405

SCHEMBL8296405

O=C(Cc1cccc(F)n1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 6/20 0.46
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTR7 P34969 1/20 0.41
PLOD2 O00469 1/20 0.41
HSD11B1 P28845 3/20 0.41
ALOX12 P18054 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL28873119 0.88 RAB9A (0.51) RAB9ANPC1PTPN1ALDH1A1HPGD
SCHEMBL5349959 0.84 RAB9A (0.59) RAB9ANPC1PTPN1ALDH1A1HPGD
SCHEMBL12327392 0.77 KDM4E (0.46) HSD17B10MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL6598838 0.77 RAB9A (1.00) RAB9ANPC1PTPN1ALDH1A1HPGD
Bromide SCHEMBL30883373 0.75 RAB9A (0.97) RAB9ANPC1PTPN1ALDH1A1HPGD
SCHEMBL23374469 0.75 MBOAT4 (0.38) RAB9ASMN1; SMN2HTTNPSR1
SCHEMBL26046013 0.75 NPSR1 (0.43) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL11636011 0.74 KDM4E (0.55) RAB9ANPC1PTPN1ALDH1A1HPGD
SCHEMBL28950047 0.73 RAB9A (0.91) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL2161557 0.73 RAB9A (0.57) RAB9ANPC1PTPN1ALDH1A1HPGD

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 4 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
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