SCHEMBL8398963

SCHEMBL8398963

NN=Cc1ccc(C2(CC(=O)O)C(=O)N(CCc3ccccc3)C(=C=O)c3ccccc3N2N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
MAPT P10636 6/20 0.35
PARK7 Q99497 3/20 0.35
LMNA P02545 1/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
USP2 O75604 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MDM2 Q00987 1/20 0.32
CASP3 P42574 1/20 0.32
HPGD P15428 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
SCHEMBL8897087 0.90 ALDH1A1 (0.35) ALDH1A1MAPTPARK7LMNAALDH2
SCHEMBL8519716 0.87 ALDH1A1 (0.36) ALDH1A1MAPTPARK7LMNAALDH2
SCHEMBL8402364 0.84 ALDH1A1 (0.38) ALDH1A1MAPTPARK7LMNAALDH2
SCHEMBL8898521 0.82 ALDH1A1 (0.35) ALDH1A1MAPTPARK7LMNAALDH2
SCHEMBL8402425 0.76 ALDH1A1 (0.34) ALDH1A1MAPTPARK7LMNAALDH2
SCHEMBL8401267 0.74 ALDH1A1 (0.38) ALDH1A1MAPTPARK7ALDH2ALDH3A1
SCHEMBL8898769 0.73
SCHEMBL8519054 0.73 ALDH1A1 (0.33) ALDH1A1MAPTPARK7ALDH2ALDH3A1
SCHEMBL8401296 0.72 ALDH1A1 (0.34) ALDH1A1MAPTPARK7ALDH2ALDH3A1
SCHEMBL8401282 0.70 ALDH1A1 (0.37) ALDH1A1MAPTPARK7ALDH2ALDH3A1

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
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US claimed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed