SCHEMBL8540333

SCHEMBL8540333

CS(=O)(=O)c1ccc(C(CCCCCCc2ncc[nH]2)=NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.50
NAMPT P43490 1/20 0.39
PTGS2 P35354 2/20 0.36
GSR P00390 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ESR2 Q92731 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL8538489 0.89 TBXAS1 (0.46) TBXAS1NAMPTPTGS2GSRGAA
SCHEMBL8536914 0.86 TBXAS1 (0.56) TBXAS1NAMPTPTGS2GSR
SCHEMBL8542267 0.81 TBXAS1 (0.49) TBXAS1NAMPTGAASMN1; SMN2ALDH1A1
SCHEMBL8538471 0.81 SMN1; SMN2 (0.50) TBXAS1NAMPTGAASMN1; SMN2ALDH1A1
SCHEMBL8538925 0.77 TBXAS1 (0.46) TBXAS1PTGS2
SCHEMBL8536865 0.76 TBXAS1 (0.46) TBXAS1NAMPTTAAR1
SCHEMBL9263151 0.71 TBXAS1 (0.49) TBXAS1SMN1; SMN2ALDH1A1HTT
SCHEMBL9263145 0.71 TBXAS1 (0.49) TBXAS1SMN1; SMN2ALDH1A1HTT
SCHEMBL29429430 0.71 PTGS2 (0.47) PTGS2GSR
SCHEMBL9373261 0.70 TBXAS1 (0.73) TBXAS1NAMPTGAASMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed