SCHEMBL18851681

SCHEMBL18851681

O=c1[nH]c(Cl)ncc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.63
▸ MAPK14 Q16539 7/20 0.44
▸ KDM4C Q9H3R0 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL25101188 0.81 LMNA (0.68) LMNAMAPK14KDM4CIDO1MAPT
SCHEMBL15150030 0.80 RECQL (0.66) LMNAKDM4CTDP1L3MBTL1RECQL
SCHEMBL5262315 0.80 LMNA (0.62) LMNAMAPK14KDM4CIDO1
SCHEMBL10733172 0.78 LMNA (1.00) LMNAKDM4CMAPTMAPK1TDP1
SCHEMBL6641884 0.73 IDO1 (0.60) LMNAMAPK14KDM4CIDO1MAPT
SCHEMBL2465344 0.71 LMNA (0.51) LMNAMAPK14MAPTMAPK1TDP1
SCHEMBL2433371 0.71 RECQL (0.53) LMNAHPGDMAPTMAPK1TDP1
SCHEMBL13195026 0.70 LTA4H (0.49) MAPK14LTA4H
SCHEMBL18989127 0.70 LMNA (0.47) LMNAHPGDMAPTTDP1L3MBTL1
SCHEMBL24096443 0.69 LMNA (0.46) LMNAMAPK14KDM4CMAPTMAPK1

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
WO-2017076349-A1 LONG-ACTING DIPEPTIDYL PEPTIDASE-IV INHIBITOR, APPLICATION THEREOF, AND PREPARATION METHOD THEREFOR 四川科伦博泰生物医药股份有限公司 2017-05-11 — — WO disclosed
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