SCHEMBL11298641

SCHEMBL11298641

O=C=Nc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP3 Q9H4L4 2/20 0.52
SENP2 Q9HC62 2/20 0.52
SENP1 Q9P0U3 2/20 0.52
SUMO2 P61956 1/20 0.52
SUMO1 P63165 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
GLO1 Q04760 4/20 0.42

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
Hydrochloric Acid SCHEMBL11296130 0.98 SENP3 (0.51) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL483895 0.85 LMNA (0.45) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL3308193 0.84 SENP3 (0.62) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL3308195 0.84 SENP3 (0.62) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL10907360 0.84 P2RY6 (0.51) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL4631228 0.84 P2RY6 (0.51) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL10907353 0.82 SENP3 (0.50) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL1772255 0.81 CYP3A4 (0.42) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL6313736 0.81 CA2 (0.40) SENP3SENP2SENP1SUMO2SUMO1
SCHEMBL241807 0.81 CA2 (0.60) CA2CA9GLO1CA12NOS1

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
US-4325887-A Isocyanatoaryl sulfonic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed
US-4259255-A ISOCYANATOARYL SULFONATES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-31 US disclosed