SCHEMBL9690288

SCHEMBL9690288

C=CCO/N=C(/C)c1cccc(OC(=O)c2ccc(NC(=N)N)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.42
ACR P10323 3/20 0.42
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
FURIN P09958 1/20 0.37
F10 P00742 5/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
CHUK O15111 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL9690295 1.00 PRSS1 (0.42) PRSS1ACRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9689279 0.85 PRSS1 (0.45) PRSS1ACRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9689283 0.85 PRSS1 (0.45) PRSS1ACRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9690343 0.85 PRSS1 (0.50) PRSS1ACRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9690350 0.85 PRSS1 (0.50) PRSS1ACRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9689573 0.83 KMT2A (0.44) PRSS1ACRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9689571 0.83 KMT2A (0.44) PRSS1ACRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9689300 0.82 PRSS1 (0.49) PRSS1ACRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9689293 0.82 PRSS1 (0.49) PRSS1ACRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL27671251 0.78 PRSS1 (0.62) PRSS1ACRKMT2ASMN1; SMN2ALDH1A1

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