SCHEMBL8436801

SCHEMBL8436801

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX5 P09917 10/20 0.42
EPHX2 P34913 7/20 0.42
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8436802 0.84 ADAM17 (0.49) SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL5759290 0.73 ADAM17 (0.50) SMN1; SMN2ALDH1A1MAPTALOX5EPHX2
SCHEMBL8433487 0.73 MMP1 (0.43)
SCHEMBL8433497 0.73 MMP1 (0.43)
SCHEMBL7544973 0.68 NPC1 (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9422610 0.67 ALOX5 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8521842 0.67 ADAM17 (0.58)
SCHEMBL6379495 0.67 MMP1 (0.65)
SCHEMBL5760549 0.67 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5760724 0.67 MMP1 (0.71)

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