SCHEMBL9523735

SCHEMBL9523735

N#CCc1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 1/20 0.44
HSP90AA1 P07900 1/20 0.38
HMGB1 P09429 1/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
FOLH1 Q04609 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.35
CDC25B P30305 1/20 0.35
RAB9A P51151 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLCN2 P51788 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
SCHEMBL6654395 0.84 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL31384424 0.83 ALDH1A1 (0.50) ALDH1A1HPGDTSHRMAPTKMT2A
SCHEMBL6652362 0.81 ALDH1A1 (0.56) ALDH1A1HPGDTSHR
SCHEMBL1523175 0.80 TSHR (0.53) ALDH1A1HPGDTSHRHMGB1MAPT
SCHEMBL8708824 0.80 TSHR (0.49) ALDH1A1HPGDTSHRHSP90AA1HMGB1
SCHEMBL8708820 0.80 TSHR (0.49) ALDH1A1HPGDTSHRHSP90AA1HMGB1
SCHEMBL25274950 0.79 TSHR (0.47) ALDH1A1HPGDTSHRHSP90AA1HMGB1
SCHEMBL7291481 0.79 ALDH1A1 (0.72) ALDH1A1HPGDTSHRMAPTKMT2A
SCHEMBL25231628 0.79 HMGB1 (0.47) ALDH1A1HPGDTSHRHSP90AA1HMGB1
SCHEMBL4369127 0.79 TSHR (0.47) ALDH1A1HPGDTSHRHSP90AA1HMGB1

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-0523067-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-20 EP disclosed
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed