SCHEMBL5220040

SCHEMBL5220040

COc1cc(COc2cc[c]cc2)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
ADAM17 P78536 3/20 0.41
MMP13 P45452 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP2 P08253 1/20 0.37

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
SCHEMBL7252416 0.90 NPC1 (0.48) NPC1ADAM17MMP13L3MBTL1LMNA
SCHEMBL3974193 0.83 ADAM17 (0.57) ADAM17MMP13SMN1; SMN2HTTMMP2
SCHEMBL4053126 0.81 ADAM17 (0.48) ADAM17MMP13MMP2
SCHEMBL6631068 0.81 LMNA (0.43) NPC1L3MBTL1LMNAKMT2ASMN1; SMN2
SCHEMBL7247098 0.81 ADAM17 (0.40) NPC1ADAM17MMP13L3MBTL1SMN1; SMN2
SCHEMBL6633312 0.81 GPBAR1 (0.53) NPC1ADAM17LMNAPKMKMT2A
SCHEMBL4444718 0.81 RAB9A (0.48) NPC1ADAM17MMP13L3MBTL1LMNA
SCHEMBL7254238 0.80 ADAM17 (0.48) NPC1ADAM17LMNASMN1; SMN2RAB9A
SCHEMBL4050447 0.77 ADAM17 (0.49) ADAM17MMP13RAB9AMAPT
SCHEMBL3968938 0.75 POLB (0.48) NPC1L3MBTL1LMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558581-A4 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-07-25 EP disclosed
EP-1546109-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
EP-1558581-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-03 EP disclosed
EP-1546109-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
WO-2004033632-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed