SCHEMBL9690353

SCHEMBL9690353

N=C(N)Nc1ccc(C(=O)Oc2cc(Cl)cc(OC(=O)C3CCC3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.37
ELANE P08246 1/20 0.37
PRSS1 P07477 3/20 0.35
ACR P10323 1/20 0.35
F2 P00734 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
ST14 Q9Y5Y6 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PLG P00747 1/20 0.35

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
SCHEMBL9688325 0.98 KMT2A (0.42) SMN1; SMN2KMT2AMEN1HTTTDP1
SCHEMBL9690546 0.97 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1HTTTDP1
SCHEMBL9689332 0.96 MEN1 (0.43) SMN1; SMN2KMT2AMEN1ELANEPRSS1
SCHEMBL9690308 0.89 POLB (0.47) SMN1; SMN2KMT2AMEN1HTTTDP1
SCHEMBL9689274 0.87 POLB (0.50) SMN1; SMN2KMT2AMEN1HTTTDP1
SCHEMBL9690569 0.86 POLB (0.52) SMN1; SMN2KMT2AMEN1HTTTDP1
SCHEMBL9688343 0.84 POLB (0.43) KMT2AMEN1MAPTPOLBELANE
SCHEMBL7336430 0.84 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1HTTTDP1
SCHEMBL7336185 0.82 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1HTTTDP1
SCHEMBL7336821 0.81 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1HTTMAPT

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
EP-0486702-A1 PHENYL 4-GUANIDINOBENZOATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROTEASE INHIBITOR CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-05-27 EP disclosed