SCHEMBL8747845

SCHEMBL8747845

CNS(C)(=O)=O.Cc1cc(Br)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DHODH Q02127 3/20 0.35
GPR27 Q9NS67 1/20 0.33
GPR6 P46095 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PDE2A O00408 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CRACR2A Q9BSW2 2/20 0.32
LMNA P02545 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MAPT P10636 2/20 0.31
CCR9 P51686 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
SCHEMBL8492072 0.91 DHODH (0.38) FLT1FLT4KDRDHODHGPR6
SCHEMBL6054844 0.82 DHODH (0.35) ALDH1A1DHODHHPGDPDE2ATAS1R3
SCHEMBL8683983 0.81 DHODH (0.36) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL7550772 0.81 DHODH (0.38) ALDH1A1DHODHHPGDHTTPDE2A
SCHEMBL9422376 0.79 DHODH (0.34) DHODHPDE2A
SCHEMBL6054845 0.79 DHODH (0.33) DHODHPDE2A
SCHEMBL7555068 0.78 L3MBTL1 (0.34) DHODHPDE2AMAPT
SCHEMBL8747828 0.78 NPC1 (0.34) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL9116360 0.78 DHODH (0.42) ALDH1A1DHODHGPR6HPGDHTT
SCHEMBL8654367 0.77 ALDH1A1 (0.38) ALDH1A1DHODHHPGDMAPTCCR9

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-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP claimed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO claimed
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP disclosed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO disclosed