SCHEMBL8905787

SCHEMBL8905787

N=C(N)c1ccc(C2CC2(C(N)=O)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.40
F10 P00742 6/20 0.40
PLAU P00749 4/20 0.38
PLG P00747 2/20 0.38
PLAT P00750 1/20 0.38
KLK1 P06870 1/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
C1S P09871 1/20 0.38
TMPRSS6 Q8IU80 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F12 P00748 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PKM P14618 1/20 0.37
WDR5 P61964 1/20 0.37
NQO2 P16083 1/20 0.36

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
Hydrochloric Acid SCHEMBL8904395 0.98 BLM (0.39) F2F10PLAUPLGPLAT
SCHEMBL4133969 0.81 KDM1A (0.44) LMNA
SCHEMBL4134830 0.81 KDM1A (0.41)
SCHEMBL307974 0.74 KDM1A (0.48)
SCHEMBL4150540 0.73 KDM1A (0.40) PLAUPLGPLATKLK1
SCHEMBL28528198 0.72 NPC1 (0.49)
SCHEMBL28511550 0.71 KDM1A (0.45) LMNA
SCHEMBL28521164 0.71 KDM1A (0.45)
SCHEMBL900614 0.71 KDM1A (0.45)
SCHEMBL28519822 0.71 ALDH1A1 (0.40) LMNA

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-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed