SCHEMBL8778230

SCHEMBL8778230

O=Nc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.67
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
POLB P06746 2/20 0.65
SIRT1 Q96EB6 1/20 0.65
KDM4E B2RXH2 1/20 0.65
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
PRMT1 Q99873 1/20 0.59
FFAR1 O14842 1/20 0.59
PGR P06401 1/20 0.59
ALDH1A1 P00352 1/20 0.58
PKM P14618 1/20 0.58
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58

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
SCHEMBL9157485 0.93 PTPN1 (0.67) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL1985170 0.87 MAPT (0.69) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL126415 0.86 PTPN1 (0.87) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL30963829 0.85 MAPT (0.72) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL18103163 0.84 NPC1 (0.88) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL14715824 0.84 NPC1 (0.88) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL16602349 0.84 PTPN1 (0.65) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL29571672 0.82 PTGS2 (0.70) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL12619050 0.82 POLB (0.76) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL26953087 0.82 PTPN1 (0.88) PTPN1NPC1RAB9AKMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0645373-B1 Process for the preparation of azoxycyanide compounds SHELL INT RESEARCH (NL) 1997-11-05 EP disclosed
US-5475093-A Process for the preparation of azoxycyanide compounds AMERICAN CYANAMID CO. (US) 1995-12-12 US disclosed
EP-0645373-A1 Process for the preparation of azoxycyanide compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-03-29 EP disclosed
US-5089486-A Fungicides SHELL RESEARCH LIMITED (GB) 1992-02-18 US disclosed
EP-0411719-A1 Biocidal compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-02-06 EP disclosed