SCHEMBL7309529

SCHEMBL7309529

[c]1ccc(Oc2ccc(-c3cncs3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.37
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MAPT P10636 1/20 0.33
LTA4H P09960 5/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
HDAC4 P56524 1/20 0.32
CD38 P28907 5/20 0.31
CHEK1 O14757 1/20 0.31
CHEK2 O96017 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT1 Q99873 1/20 0.30

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
SCHEMBL6260 0.85 DYRK1A (0.43) DYRK1ADYRK2DYRK1BMAPTHDAC4
SCHEMBL25370601 0.77 HDAC8 (0.31)
SCHEMBL7309519 0.76 DYRK1A (0.36) DYRK1ADYRK2DYRK1BMAPTLTA4H
SCHEMBL10839908 0.74 ALDH1A1 (0.39) MAPTLTA4HNPC1RAB9A
SCHEMBL6037961 0.74 APP (0.55) MAPTNPC1RAB9A
SCHEMBL7299255 0.74 LTA4H (0.46) MAPTLTA4HNPC1RAB9A
SCHEMBL27939699 0.71 NQO1 (0.52) MAPTNPC1RAB9ACD38
SCHEMBL22042146 0.70 ABL1 (0.48) CHEK1
SCHEMBL29349948 0.70 KDM4E (0.56) DYRK1ALTA4HRAB9ACD38CHEK1
SCHEMBL22530962 0.70 KDM4E (0.56) DYRK1ALTA4HRAB9ACD38CHEK1

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
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed