SCHEMBL9690378

SCHEMBL9690378

CC(=NO)c1ccc(Cl)c(OC(=O)c2ccc(NC(=N)N)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPK1 P28482 2/20 0.41
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
BCAT2 O15382 1/20 0.37
STAT3 P40763 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9690371 1.00 KMT2A (0.41) KMT2AMEN1SMN1; SMN2MAPK1PRSS1
SCHEMBL9690317 0.89 KMT2A (0.42) KMT2AMEN1SMN1; SMN2MAPK1PRSS1
SCHEMBL9690324 0.89 KMT2A (0.42) KMT2AMEN1SMN1; SMN2MAPK1PRSS1
SCHEMBL9689702 0.84 KMT2A (0.41) KMT2AMEN1SMN1; SMN2MAPK1PRSS1
SCHEMBL9689706 0.84 KMT2A (0.41) KMT2AMEN1SMN1; SMN2MAPK1PRSS1
SCHEMBL9689293 0.81 PRSS1 (0.49) KMT2AMEN1SMN1; SMN2MAPK1PRSS1
SCHEMBL9689300 0.81 PRSS1 (0.49) KMT2AMEN1SMN1; SMN2MAPK1PRSS1
SCHEMBL9690530 0.76 KMT2A (0.40) KMT2AMEN1SMN1; SMN2MAPK1PRSS1
SCHEMBL9689323 0.75 KMT2A (0.39) KMT2AMEN1SMN1; SMN2MAPK1PRSS1
SCHEMBL6810455 0.70 KMT2A (0.50) KMT2AMEN1SMN1; SMN2PRSS1ACR

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