SCHEMBL8105859

SCHEMBL8105859

C[C@H](C(=O)O)N(O)S(=O)(=O)N1CCc2c([nH]c3ccccc23)C1Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.43
KDM4E B2RXH2 6/20 0.42
MAPT P10636 7/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.40
HTT P42858 1/20 0.39
KLK7 P49862 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PKM P14618 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
SCHEMBL4670970 0.72 FNTA (0.44) KDM4EFNTAFNTB
SCHEMBL4670972 0.72 FNTA (0.44) KDM4EFNTAFNTB
SCHEMBL8105746 0.70 HDAC3 (0.49) KDM4EMAPT
SCHEMBL8105854 0.64 FNTA (0.44) MAPTKMT2AFNTAFNTB
SCHEMBL5371376 0.63 ABCG2 (0.59) ABCB1ABCG2RAB9ANPC1POLB
SCHEMBL18689299 0.63 ABCG2 (1.00) ABCB1ABCG2RAB9ANPC1KDM4E
SCHEMBL14925414 0.63 RAB9A (0.54) ABCB1ABCG2RAB9ANPC1KDM4E
SCHEMBL3887692 0.62 POLB (0.56) ABCB1ABCG2POLBMAPTNPSR1
SCHEMBL18689326 0.62 ABCB1 (0.76) ABCB1ABCG2RAB9ANPC1KDM4E
SCHEMBL11116897 0.62 ABCG2 (0.57) ABCB1ABCG2RAB9ANPC1POLB

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-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed