SCHEMBL7573455

SCHEMBL7573455

C[S+]([O-])Cc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.34
HPGD P15428 2/20 0.33
P2RX7 Q99572 1/20 0.32
PDE2A O00408 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.32
CRHR1 P34998 3/20 0.31
NR1H4 Q96RI1 1/20 0.31
NAMPT P43490 1/20 0.31
USP2 O75604 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL7573986 0.89 PDE2A (0.33) DHODHPDE2AMEN1KMT2AEPHX2
SCHEMBL9115628 0.89 DHODH (0.35) DHODHPDE2AEPHX2NR1H4NAMPT
SCHEMBL7575155 0.88 PDE2A (0.33) DHODHPDE2AMEN1KMT2AEPHX2
SCHEMBL7577500 0.88 PDE2A (0.32) DHODHPDE2AMEN1KMT2AEPHX2
SCHEMBL27294090 0.88 PDE2A (0.34) DHODHPDE2AMEN1KMT2AEPHX2
SCHEMBL9117324 0.87 DHODH (0.36) DHODHHPGDP2RX7PDE2AMEN1
SCHEMBL27288096 0.87 PDE2A (0.32) DHODHPDE2ANAMPT
SCHEMBL7573447 0.86 PDE2A (0.31) DHODHPDE2A
SCHEMBL27389449 0.85 DHODH (0.35) DHODHHPGDP2RX7MEN1KMT2A
SCHEMBL27525840 0.85 DHODH (0.35) DHODHHPGDP2RX7MEN1KMT2A

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 8 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
CN-1039229-C Herbicides PHONE POULENC AGRICULTURE LTD (GB) 1998-07-22 CN claimed
CN-1091739-A Weedicide PHONE POULENC AGRICULTURE LIMI (GB) 1994-09-07 CN 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
CN-1039229-C Herbicides PHONE POULENC AGRICULTURE LTD (GB) 1998-07-22 CN 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