SCHEMBL6669978

SCHEMBL6669978

O=C(NCc1ccc(Cl)cc1)c1nnc2c(CC#CCO)cc(CC3CCOCC3)cc2c1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
EGLN1 Q9GZT9 3/20 0.33
CCR2 P41597 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RORC P51449 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GSK3B P49841 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL6669028 0.88 MAPK1 (0.39) MAPK1GAAALDH1A1KMT2AMAPT
SCHEMBL6668056 0.88 MAPK1 (0.39) MAPK1GAAALDH1A1KMT2AMAPT
SCHEMBL6672693 0.87 MAPK1 (0.38) MAPK1GAAALDH1A1KMT2AMAPT
SCHEMBL6671395 0.85 ALDH1A1 (0.44) MAPK1ALDH1A1KMT2ATHRB
SCHEMBL6669314 0.85 KCNH2 (0.46) ALDH1A1MAPTKCNH2
SCHEMBL6669974 0.84 MAPK1 (0.37) MAPK1GAAALDH1A1KMT2AMAPT
SCHEMBL6667440 0.83 MAPK1 (0.35) MAPK1GAAALDH1A1KMT2AMAPT
SCHEMBL6672226 0.82 MAPK1 (0.36) MAPK1ALDH1A1KMT2A
SCHEMBL6667328 0.82 MAPK1 (0.37) MAPK1GAAALDH1A1KMT2AMAPT
SCHEMBL6670932 0.81 MAPK1 (0.41) MAPK1GAAALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP claimed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 WO claimed
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 WO disclosed