SCHEMBL7574654

SCHEMBL7574654

CSCc1c(Br)cccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.33
PDE2A O00408 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
S100A4 P26447 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL7574755 0.84 DHODH (0.33) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8815055 0.84 TAS1R3 (0.34) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL7575170 0.83 PDE2A (0.33) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL7576312 0.83 DHODH (0.32) DHODHPDE2A
SCHEMBL7577691 0.81 DHODH (0.36) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8815862 0.81 MAPT (0.33) DHODHTAS1R3TAS1R1TAS1R2CCNA2
SCHEMBL27293226 0.81 DHODH (0.33) DHODHCCNA2CDK2CCNA1
SCHEMBL8816506 0.81 HSD11B1 (0.39) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL7573501 0.81 DHODH (0.34) DHODHPDE2AS100A4NAMPT
SCHEMBL7575287 0.80 NAMPT (0.31) DHODHPDE2ANAMPT

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-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP claimed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP claimed
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed