SCHEMBL8401296

SCHEMBL8401296

NN=Cc1ccc(OC(=O)CC2C(=O)N(CCc3ccccc3)C(=C=O)c3ccccc3N2N)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
PARK7 Q99497 3/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 2/20 0.31
CASP3 P42574 1/20 0.31
HSD17B10 Q99714 2/20 0.31
ITGB3 P05106 1/20 0.30
ITGAV P06756 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
SCHEMBL8398963 0.72 ALDH1A1 (0.35) ALDH1A1PARK7ALDH2ALDH3A1KDM4E
SCHEMBL8402364 0.71 ALDH1A1 (0.38) ALDH1A1PARK7ALDH2ALDH3A1KDM4E
SCHEMBL8402425 0.65 ALDH1A1 (0.34) ALDH1A1PARK7ALDH2ALDH3A1KDM4E
SCHEMBL8519054 0.62 ALDH1A1 (0.33) ALDH1A1PARK7ALDH2ALDH3A1KDM4E
SCHEMBL8897087 0.62 ALDH1A1 (0.35) ALDH1A1PARK7ALDH2ALDH3A1KDM4E
SCHEMBL2823268 0.59 ALDH1A1 (0.66) ALDH1A1PARK7ALDH2ALDH3A1KDM4E
SCHEMBL1200625 0.56 KMT2A (0.72) ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL3931444 0.56 CASP3 (0.61) ALDH1A1PARK7ALDH2ALDH3A1KDM4E
SCHEMBL8402405 0.56 CASP3 (0.44) ALDH1A1PARK7ALDH2ALDH3A1KDM4E
SCHEMBL12930286 0.56 CDC25A (0.67) ALDH1A1PARK7ALDH2ALDH3A1KDM4E

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
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed