SCHEMBL1027677

SCHEMBL1027677

CCN(CCNC(=O)CN(CC(=O)N(C)N1Cc2ccc(F)cc2C1)c1cc(-c2noc(COC(C)=O)n2)ccc1C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHCY P23526 6/20 0.40
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GSTP1 P09211 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
SCHEMBL11896239 0.89 AHCY (0.41) AHCYMAPTTP53
SCHEMBL1196560 0.87 MAPT (0.36) MAPTTP53ALDH1A1SMN1; SMN2GSTP1
SCHEMBL1198040 0.80 AHCY (0.42) AHCYMAPTTP53ALDH1A1LMNA
SCHEMBL11903758 0.80 AHCY (0.45) AHCY
SCHEMBL11974832 0.80 AHCY (0.44) AHCYMAPTTP53ALDH1A1LMNA
SCHEMBL1026964 0.79 MAPT (0.37) AHCYMAPTTP53
SCHEMBL11956116 0.78 LMNA (0.38) AHCYMAPTLMNATSHR
SCHEMBL1196372 0.77 AHCY (0.45) AHCYMAPTLMNATSHR
SCHEMBL1026232 0.77 AHCY (0.45) AHCY
SCHEMBL1027797 0.77 AHCY (0.45) AHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed