SCHEMBL6804342

SCHEMBL6804342

Cc1nc(COc2ccc(C[C]=O)cc2)sc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.37
ATAD2 Q6PL18 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
PPARD Q03181 2/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.35
AOC3 Q16853 2/20 0.35
FFAR1 O14842 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SLC6A3 Q01959 1/20 0.35
APLNR P35414 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6801133 0.78 LMNA (0.35) PPARDSMN1; SMN2L3MBTL1KMT2AFFAR1
SCHEMBL7253305 0.75 RAB9A (0.40) ADAM17ATAD2MMP2MMP9PPARD
SCHEMBL6803571 0.74 RAB9A (0.40) RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6806039 0.72 MAPT (0.41) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL910584 0.71 NQO1 (0.58) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL6804638 0.71 GRM5 (0.41) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL6804907 0.71 MAOB (0.41) ADAM17RAB9ANPC1ALDH1A1
SCHEMBL6804943 0.70 FFAR1 (0.49) ADAM17FFAR1
SCHEMBL6804913 0.70 PARP10 (0.56) SMN1; SMN2MAPK1FFAR1MAPTALDH1A1
SCHEMBL6804893 0.70 SOD1 (0.42) RAB9ANPC1SMN1; SMN2L3MBTL1KMT2A

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-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed