SCHEMBL7575705

SCHEMBL7575705

C[S+]([O-])Cc1ccc(C(=O)c2cnoc2C2CC2)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.33
PDE2A O00408 1/20 0.33
DHODH Q02127 3/20 0.33
NR1H4 Q96RI1 3/20 0.31
P2RX7 Q99572 2/20 0.31
PAK1 Q13153 4/20 0.31
EPHX2 P34913 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
CCR2 P41597 1/20 0.31
HPGD P15428 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
SCHEMBL27392041 0.89 DHODH (0.34) NAMPTPDE2ADHODHEPHX2
SCHEMBL27293235 0.87 DHODH (0.35) NAMPTPDE2ADHODHEPHX2
SCHEMBL7575665 0.87 NAMPT (0.35) NAMPTPDE2ADHODHEPHX2
SCHEMBL27289386 0.87 NAMPT (0.33) NAMPTPDE2ADHODHEPHX2
SCHEMBL7574673 0.85 NAMPT (0.32) NAMPTPDE2ADHODHEPHX2SMN1; SMN2
SCHEMBL7573986 0.85 PDE2A (0.33) NAMPTPDE2ADHODHEPHX2
SCHEMBL7575155 0.84 PDE2A (0.33) NAMPTPDE2ADHODHEPHX2
SCHEMBL7575311 0.83 DHODH (0.33) NAMPTPDE2ADHODHP2RX7EPHX2
SCHEMBL8489456 0.83 DHODH (0.34) NAMPTPDE2ADHODHEPHX2LMNA
SCHEMBL7573455 0.83 DHODH (0.34) NAMPTPDE2ADHODHNR1H4P2RX7

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