SCHEMBL9835236

SCHEMBL9835236

CCc1cc(CC)n2nc(S(=O)(=O)Nc3c(C)cccc3[N+](=O)[O-])nc2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
KCNMA1 Q12791 1/20 0.33
LCK P06239 1/20 0.32
NFKBIA P25963 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL8824776 0.81 TSHR (0.56) TSHRPOLBALDH1A1USP2SMN1; SMN2
SCHEMBL10473579 0.80 TSHR (0.35) TSHRL3MBTL1POLBALDH1A1USP2
SCHEMBL10396216 0.80 TSHR (0.35) TSHRL3MBTL1POLBALDH1A1USP2
SCHEMBL10397567 0.80 TSHR (0.40) TSHRPOLBALDH1A1USP2SMN1; SMN2
SCHEMBL8374481 0.78 TSHR (0.36) TSHRL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9831411 0.78 ALDH1A1 (0.41) TSHRL3MBTL1POLBALDH1A1SMN1; SMN2
SCHEMBL10663596 0.77 TSHR (0.43) TSHRPOLBALDH1A1USP2SMN1; SMN2
SCHEMBL10397326 0.76 TSHR (0.44) TSHRALDH1A1USP2KMT2A
SCHEMBL8355381 0.74 NFKBIA (0.40) TSHRPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL7848907 0.74 MEN1 (0.37) L3MBTL1POLBALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142152-B1 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1991-03-20 EP claimed
EP-0142152-A2 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1985-05-22 EP claimed