SCHEMBL11280076

SCHEMBL11280076

N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)OCC(=O)NC3CC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
KLK7 P49862 4/20 0.47
POLB P06746 5/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
F2 P00734 2/20 0.45
KLK1 P06870 2/20 0.45
PRSS1 P07477 2/20 0.45
SLC22A2 O15244 1/20 0.45
TMPRSS2 O15393 1/20 0.45
HPN P05981 1/20 0.45
PRSS2 P07478 1/20 0.45
CTSL P07711 1/20 0.45
CNR1 P21554 1/20 0.45
PRSS3 P35030 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRD1 P41143 1/20 0.45
HGFAC Q04756 1/20 0.45
KCNH2 Q12809 1/20 0.45
SLC47A2 Q86VL8 1/20 0.45

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
SCHEMBL11271622 0.96 SMN1; SMN2 (0.54) SMN1; SMN2KLK7POLBKMT2AMEN1
SCHEMBL11278486 0.96 SMN1; SMN2 (0.52) SMN1; SMN2KLK7POLBKMT2AMEN1
SCHEMBL11281075 0.95 SMN1; SMN2 (0.56) SMN1; SMN2KLK7POLBKMT2AMEN1
SCHEMBL11272631 0.95 SMN1; SMN2 (0.56) SMN1; SMN2KLK7POLBKMT2AMEN1
SCHEMBL11273714 0.95 SMN1; SMN2 (0.56) SMN1; SMN2KLK7POLBKMT2AMEN1
SCHEMBL11285504 0.90 KMT2A (0.52) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL11270219 0.87 KMT2A (0.49) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL11285570 0.86 KMT2A (0.48) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL11277593 0.86 KMT2A (0.48) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL11282367 0.86 KMT2A (0.59) POLBKMT2AMEN1MAPTRAB9A

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-4310533-A INHIBITING PLASMIN AND-OR TRYSIN ACTIVITY ONO PHARMACEUTICAL CO., LTD. (JP) 1982-01-12 US disclosed