SCHEMBL7830253

SCHEMBL7830253

O=C1c2ccccc2C(=O)c2c[n+]([O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CDC25B P30305 1/20 0.52
MAPK1 P28482 6/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
MAOA P21397 3/20 0.44
APAF1 O14727 2/20 0.44
TDP2 O95551 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CES2 O00748 1/20 0.44
TERT O14746 1/20 0.44
PLIN1 O60240 1/20 0.44
S1PR4 O95977 1/20 0.44
PLA2G1B P04054 1/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL22930024 0.81 L3MBTL1 (0.38) MEN1KMT2AMAPK1RAB9AMAPT
SCHEMBL8546620 0.76 MEN1 (0.32) MEN1KMT2AL3MBTL1
SCHEMBL4624211 0.72 CDC25B (0.50) MEN1KMT2ACDC25BMAPK1RAB9A
Anthraquinone SCHEMBL29358690 0.72 MEN1 (1.00) MEN1KMT2ACDC25BMAPK1RAB9A
Anthraquinone SCHEMBL1901249 0.72 MEN1 (1.00) MEN1KMT2ACDC25BMAPK1RAB9A
Anthraquinone SCHEMBL14943 0.72 MEN1 (1.00) MEN1KMT2ACDC25BMAPK1RAB9A
Anthraquinone SCHEMBL5082838 0.71 MEN1 (0.71) MEN1KMT2ACDC25BMAPK1RAB9A
Anthraquinone SCHEMBL7205968 0.69 MEN1 (0.92) MEN1KMT2ACDC25BMAPK1RAB9A
Anthraquinone SCHEMBL6415478 0.69 MEN1 (0.92) MEN1KMT2ACDC25BMAPK1RAB9A
Anthraquinone SCHEMBL20299926 0.69 MEN1 (0.92) MEN1KMT2ACDC25BMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750619-B1 HETERO-ANNULATED INDAZOLES NOVUSPHARMA SPA (IT) 2001-05-30 EP disclosed
US-5596097-A ANTITUMOR AGENTS THE UNIVERSITY OF VERMONT (US) 1997-01-21 US disclosed
EP-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 EP disclosed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed