SCHEMBL9689702

SCHEMBL9689702

COC(=O)CO/N=C(/C)c1ccc(Cl)c(OC(=O)c2ccc(NC(=N)N)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HPGD P15428 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PDE4D Q08499 2/20 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
SCHEMBL9689706 1.00 KMT2A (0.41) KMT2AMEN1SMN1; SMN2MAPK1POLB
SCHEMBL9690324 0.88 KMT2A (0.42) KMT2AMEN1SMN1; SMN2MAPK1POLB
SCHEMBL9690317 0.88 KMT2A (0.42) KMT2AMEN1SMN1; SMN2MAPK1POLB
SCHEMBL9690371 0.84 KMT2A (0.41) KMT2AMEN1SMN1; SMN2MAPK1POLB
SCHEMBL9690378 0.84 KMT2A (0.41) KMT2AMEN1SMN1; SMN2MAPK1POLB
SCHEMBL9689283 0.83 PRSS1 (0.45) KMT2AMEN1SMN1; SMN2MAPK1MAPT
SCHEMBL9689279 0.83 PRSS1 (0.45) KMT2AMEN1SMN1; SMN2MAPK1MAPT
SCHEMBL9689573 0.76 KMT2A (0.44) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL9689571 0.76 KMT2A (0.44) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL9689323 0.71 KMT2A (0.39) KMT2AMEN1SMN1; SMN2MAPK1HTT

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