SCHEMBL9689274

SCHEMBL9689274

N=C(N)Nc1ccc(C(=O)Oc2cccc(OC(=O)C3CCCC3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
KMT2A Q03164 4/20 0.47
USP2 O75604 1/20 0.47
ELANE P08246 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PRSS1 P07477 4/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACR P10323 1/20 0.40
F10 P00742 4/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL9690569 0.99 POLB (0.52) POLBKMT2AUSP2ELANEL3MBTL1
SCHEMBL9690308 0.98 POLB (0.47) POLBKMT2AUSP2ELANEL3MBTL1
SCHEMBL9688343 0.95 POLB (0.43) POLBKMT2AUSP2ELANEMAPT
SCHEMBL9688325 0.89 KMT2A (0.42) POLBKMT2AUSP2ELANEL3MBTL1
SCHEMBL9690546 0.88 SMN1; SMN2 (0.42) POLBKMT2AUSP2ELANESMN1; SMN2
SCHEMBL9690353 0.87 SMN1; SMN2 (0.42) POLBKMT2AELANEL3MBTL1SMN1; SMN2
SCHEMBL9689332 0.84 MEN1 (0.43) KMT2AELANESMN1; SMN2PRSS1F2
SCHEMBL27690177 0.79 PARP10 (0.50) KMT2ASMN1; SMN2MAPTPRSS1F2
SCHEMBL9689323 0.79 KMT2A (0.39) KMT2AELANEL3MBTL1SMN1; SMN2PRSS1
SCHEMBL23487601 0.79 POLB (0.65) POLBKMT2AUSP2ELANEL3MBTL1

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