SCHEMBL6610253

SCHEMBL6610253

C=C(C(=O)OC)N(Cc1ccccc1NC(=O)c1cccnc1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
MAPT P10636 3/20 0.48
AVPR1B P47901 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CXCR3 P49682 1/20 0.44
MMP2 P08253 3/20 0.44

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
SCHEMBL6610090 0.90 SNCA (0.47) MAPTAVPR1BKMT2AMEN1POLB
SCHEMBL5656436 0.90 LMNA (0.48) MAPTKMT2APOLBNPC1LMNA
SCHEMBL7489125 0.85 ABCB1 (0.49) ABCB1MAPTAVPR1BKMT2AMEN1
SCHEMBL6609938 0.85 MAPT (0.48) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL6608937 0.84 MEN1 (0.47) ABCB1MAPTKMT2AMEN1POLB
SCHEMBL6612494 0.84 TAS2R14 (0.46) ABCB1MAPTKMT2AMEN1ALDH1A1
SCHEMBL7489133 0.84 ABCB1 (0.47) ABCB1MAPTAVPR1BKMT2AMEN1
SCHEMBL6611082 0.83 LMNA (0.42) MAPTKMT2APOLBLMNAKDM4E
SCHEMBL5656058 0.83 POLB (0.48) MAPTKMT2APOLBALDH1A1KDM4E
SCHEMBL6610841 0.82 KEAP1 (0.48) AVPR1BKMT2APOLBTSHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147095-B1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-08-11 EP disclosed
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 WO disclosed