SCHEMBL9689283

SCHEMBL9689283

COC(=O)CON=C(C)c1cccc(OC(=O)c2ccc(NC(=N)N)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.45
ACR P10323 3/20 0.45
KMT2A Q03164 4/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
FURIN P09958 1/20 0.40
F10 P00742 6/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9689279 1.00 PRSS1 (0.45) PRSS1ACRKMT2AHPGDSMN1; SMN2
SCHEMBL9689573 0.92 KMT2A (0.44) PRSS1ACRKMT2AHPGDSMN1; SMN2
SCHEMBL9689571 0.92 KMT2A (0.44) PRSS1ACRKMT2AHPGDSMN1; SMN2
SCHEMBL9690350 0.88 PRSS1 (0.50) PRSS1ACRKMT2AHPGDSMN1; SMN2
SCHEMBL9690343 0.88 PRSS1 (0.50) PRSS1ACRKMT2AHPGDSMN1; SMN2
SCHEMBL9690288 0.85 PRSS1 (0.42) PRSS1ACRKMT2AHPGDSMN1; SMN2
SCHEMBL9690295 0.85 PRSS1 (0.42) PRSS1ACRKMT2AHPGDSMN1; SMN2
SCHEMBL9689706 0.83 KMT2A (0.41) PRSS1KMT2AHPGDSMN1; SMN2MEN1
SCHEMBL9689702 0.83 KMT2A (0.41) PRSS1KMT2AHPGDSMN1; SMN2MEN1
SCHEMBL9689300 0.83 PRSS1 (0.49) PRSS1ACRKMT2AHPGDSMN1; SMN2

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