SCHEMBL9644271

SCHEMBL9644271

N[S+]([O-])c1ccc(N2C(=O)CCC23CCC(=O)N3c2ccc([S+](N)[O-])cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.38
MMP2 P08253 4/20 0.34
MMP3 P08254 4/20 0.34
MMP9 P14780 4/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL9644504 0.83 MMP13 (0.35) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL9730839 0.75 MMP13 (0.52) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL515166 0.75 KMT2A (0.48) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL9730386 0.74 MMP13 (0.59) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL9730368 0.72 MMP13 (0.63) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL9773395 0.71 MMP13 (0.43) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL9383630 0.71 MMP13 (0.39) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL10392048 0.70 MMP13 (0.50) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL9729436 0.68 ALDH1A1 (0.36) MMP13MMP2MMP3MMP9ALDH1A1
SCHEMBL9738296 0.68 NSD2 (0.46) MMP13MMP2MMP3MMP9POLB

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-5149823-A Sulfonamide substituted spirodilactams SHELL OIL COMPANY (US) 1992-09-22 US disclosed