SCHEMBL6789274

SCHEMBL6789274

CC#CCOc1ccc([S+]([O-])C(CCCCNC(=O)c2ccc3ccccc3n2)C(=O)NO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADAM17 P78536 12/20 0.41
MMP9 P14780 7/20 0.41
MMP13 P45452 6/20 0.41
MMP1 P03956 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ATM Q13315 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL7413415 0.95 MAPT (0.39) MAPTL3MBTL1ALDH1A1HPGDMEN1
SCHEMBL7416157 0.82 HDAC3 (0.38) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL3942478 0.81 ADAM17 (0.51) ALDH1A1ADAM17MMP9MMP13MMP1
SCHEMBL3939291 0.81 ADAM17 (0.47) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL3939279 0.80 ADAM17 (0.46) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL3942155 0.79 ADAM17 (0.43) HPGDADAM17MMP9MMP13MMP1
SCHEMBL6662677 0.79 ADAM17 (0.48) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL6662679 0.79 ADAM17 (0.48) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL3940968 0.78 ADAM17 (0.53) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL7414772 0.78 ADAM17 (0.57) MAPTL3MBTL1ALDH1A1HPGDMEN1

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-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed