SCHEMBL5739997

SCHEMBL5739997

Cc1ccc2c(c1)c1cc(-c3cc[n+]([O-])cc3)c(=O)n(C)c1n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PGR P06401 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL3867984 0.84 HSD17B10 (0.46) KDM4ERAB9AMAPTAPAF1PKM
SCHEMBL2385054 0.83 MAPT (0.46) KDM4ERAB9AMAPTAPAF1PKM
SCHEMBL3443882 0.82 KDM4E (0.43) KDM4ERAB9AMAPTAPAF1PKM
SCHEMBL2382248 0.82 MAPT (0.43) KDM4ERAB9AMAPTAPAF1PKM
Hydrochloric Acid SCHEMBL3444526 0.81 KDM4E (0.42) KDM4ERAB9AMAPTAPAF1PKM
SCHEMBL2384414 0.80 PADI4 (0.44) KDM4ERAB9AMAPTAPAF1PKM
SCHEMBL3867457 0.80 KDM4E (0.41) KDM4ERAB9AMAPTAPAF1PKM
SCHEMBL2385267 0.80 KDM4E (0.43) KDM4ERAB9AMAPTAPAF1PKM
SCHEMBL2384375 0.79 KDM4E (0.41) KDM4ERAB9AMAPTAPAF1PKM
SCHEMBL2385861 0.79 KDM4E (0.41) KDM4ERAB9AMAPTAPAF1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556380-B1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2006-04-12 — — EP disclosed
EP-1556380-A1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-07-27 — — EP disclosed
WO-2004037821-A1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-05-06 — — WO disclosed
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