SCHEMBL9689323

SCHEMBL9689323

N=C(N)Nc1ccc(C(=O)Oc2cc(OC(=O)C3CC3)ccc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
ELANE P08246 1/20 0.38
PRSS1 P07477 5/20 0.37
PRSS2 P07478 4/20 0.37
PRSS3 P35030 4/20 0.37
F2 P00734 3/20 0.37
ST14 Q9Y5Y6 2/20 0.37
PLG P00747 1/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
F12 P00748 1/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCAT2 O15382 1/20 0.35
ACR P10323 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL9689332 0.84 MEN1 (0.43) KMT2ASMN1; SMN2MEN1ELANEPRSS1
SCHEMBL9688343 0.83 POLB (0.43) KMT2AMEN1ELANEPRSS1PRSS2
SCHEMBL9690530 0.82 KMT2A (0.40) KMT2ASMN1; SMN2MEN1PRSS1PRSS2
SCHEMBL9688325 0.80 KMT2A (0.42) KMT2ASMN1; SMN2MEN1ELANEHTT
SCHEMBL9690353 0.80 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1ELANEPRSS1
SCHEMBL9690308 0.79 POLB (0.47) KMT2ASMN1; SMN2MEN1ELANEPRSS1
SCHEMBL9689274 0.79 POLB (0.50) KMT2ASMN1; SMN2MEN1ELANEPRSS1
SCHEMBL9690546 0.79 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1ELANEHTT
SCHEMBL9690569 0.78 POLB (0.52) KMT2ASMN1; SMN2MEN1ELANEPRSS1
SCHEMBL9690378 0.75 KMT2A (0.41) KMT2ASMN1; SMN2MEN1PRSS1MAPK1

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