SCHEMBL7382300

SCHEMBL7382300

Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)ON)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.48
KMT2A Q03164 1/20 0.48
FBP1 P09467 13/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL1906746 0.84 KMT2A (0.51) NLRP3KMT2AFBP1ALDH1A1MAPT
SCHEMBL7378828 0.82 ADAMTS4 (0.59) NLRP3KMT2AFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7456085 0.81 ADAMTS4 (0.57) NLRP3KMT2AFBP1ALDH1A1MAPT
SCHEMBL171036 0.77 KMT2A (0.61) NLRP3KMT2AFBP1ALDH1A1MAPT
SCHEMBL7379009 0.76 KMT2A (0.49) KMT2AFBP1
Hydrochloric Acid SCHEMBL7844930 0.75 KMT2A (0.48) KMT2AFBP1
Hydrochloric Acid SCHEMBL7704939 0.75 KMT2A (0.48) KMT2AFBP1
SCHEMBL7410148 0.74 SLC1A3 (0.55) KMT2AALDH1A1
SCHEMBL19040574 0.74 KMT2A (0.50) NLRP3KMT2AFBP1
SCHEMBL9888787 0.72 FBP1 (0.63) NLRP3KMT2AFBP1ALDH1A1MAPT

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-0922039-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS Du Pont Pharmaceuticals Company (US) 1999-06-16 EP disclosed
WO-1998006707-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS DUPONT PHARMACEUTICALS COMPANY (US) 1998-02-19 WO disclosed