SCHEMBL7309519

SCHEMBL7309519

[c]1ccccc1Oc1ccc(-c2cncs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
HDAC4 P56524 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CARM1 Q86X55 2/20 0.32
PRMT1 Q99873 2/20 0.32
CD38 P28907 5/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
LTA4H P09960 1/20 0.32
KDR P35968 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.31
RET P07949 1/20 0.31
PIM1 P11309 1/20 0.31
TBXAS1 P24557 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL7299247 0.79 LTA4H (0.41) NPC1RAB9ALTA4HKDM4EALDH1A1
SCHEMBL7309529 0.76 DYRK1A (0.37) DYRK1AHDAC4DYRK2DYRK1BCARM1
SCHEMBL9672822 0.76 GSTP1 (0.37) NPC1RAB9ALTA4HALDH1A1LMNA
SCHEMBL6448261 0.72 NOTUM (0.33) LTA4HKDM4ELMNASMN1; SMN2MAPT
SCHEMBL8535180 0.71 LTA4H (0.52) NPC1RAB9ALTA4H
SCHEMBL48894 0.71 DYRK1A (0.55) DYRK1AHDAC4DYRK2DYRK1BCD38
SCHEMBL76698 0.71 LTA4H (0.50) LTA4HKDM4ELMNAMAPT
SCHEMBL7300800 0.71 CYP2A6 (0.48) LTA4H
SCHEMBL4531816 0.71 KDM4E (0.37) DYRK1AHDAC4DYRK2DYRK1BCD38
SCHEMBL28770243 0.69 LTA4H (0.48) LTA4HKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed