SCHEMBL8436802

SCHEMBL8436802

COC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(OCc3nc4ccccc4s3)cc2)[C@H]1C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.49
MMP1 P03956 10/20 0.49
MMP13 P45452 10/20 0.49
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5759290 0.88 ADAM17 (0.50) ADAM17MMP1MMP13LMNATP53
SCHEMBL8433487 0.88 MMP1 (0.43) ADAM17MMP1MMP13
SCHEMBL8433497 0.88 MMP1 (0.43) ADAM17MMP1MMP13
SCHEMBL8436801 0.84 NPC1 (0.43) SMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL8570605 0.81 ADAM17 (0.47) ADAM17MMP1MMP13
SCHEMBL8570608 0.81 ADAM17 (0.47) ADAM17MMP1MMP13
SCHEMBL8432174 0.81 MMP1 (0.61) ADAM17MMP1MMP13
SCHEMBL8432172 0.81 MMP1 (0.61) ADAM17MMP1MMP13
SCHEMBL5760724 0.80 MMP1 (0.71) ADAM17MMP1
SCHEMBL7454737 0.80 MMP1 (0.71) ADAM17MMP1

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-0960098-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-12-01 EP disclosed
WO-1998034918-A1 ARYLSULFONYL HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-08-13 WO disclosed