SCHEMBL8897087

SCHEMBL8897087

NN=CCc1ccc(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 9/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 3/20 0.34
ALOX15 P16050 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
PARK7 Q99497 2/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
TP53 P04637 5/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8398963 0.90 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8519716 0.89 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8898521 0.82 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8401267 0.74 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8402364 0.74 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2KMT2AHSD17B10
SCHEMBL8897079 0.70 PARP1 (0.39) ALDH1A1MAPTUSP2ALOX15MAPK1
SCHEMBL8401282 0.68 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8402425 0.66 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8898197 0.64 CCKBR (0.35) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8519054 0.63 ALDH1A1 (0.33) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed