SCHEMBL8109638

SCHEMBL8109638

CS(=O)(=O)c1ccc(-c2oncc2C(=O)C2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.41
PTGS1 P23219 4/20 0.39
BRD4 O60885 1/20 0.38
KMT2A Q03164 1/20 0.37
ATR Q13535 1/20 0.37
CHRNA7 P36544 1/20 0.37
VCP P55072 1/20 0.36
MELK Q14680 1/20 0.35
SLC18A3 Q16572 1/20 0.35

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
SCHEMBL8729768 0.82 BRD4 (0.41) BRD4CHRNA7
SCHEMBL8727417 0.81 CHRNA7 (0.36) BRD4CHRNA7MELK
SCHEMBL8100138 0.81 PIK3CD (0.38) CHRNA7MELK
SCHEMBL8100212 0.81 DPP4 (0.38) PTGS2
SCHEMBL9115919 0.81 RAB9A (0.44) CHRNA7
SCHEMBL8100359 0.81 HCRTR1 (0.36) CHRNA7MELK
SCHEMBL8108797 0.80 HCRTR1 (0.37) KMT2ASLC18A3
SCHEMBL8731661 0.79 TP53 (0.42) BRD4MELK
SCHEMBL8045015 0.77 HCRTR1 (0.33)
SCHEMBL9114552 0.77 DHODH (0.43)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP claimed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US claimed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP claimed
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP disclosed