SCHEMBL6694566

SCHEMBL6694566

O=C(O)C[N+]1(c2ccccc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CDC25B P30305 3/20 0.38
NR4A2 P43354 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1B1 P15121 1/20 0.34
APEX1 P27695 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
S100A4 P26447 1/20 0.34
CDC25A P30304 2/20 0.33
POLB P06746 2/20 0.33
MAP2K7 O14733 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
SCHEMBL10791227 0.76 KMT2A (0.35) KMT2APKMCA12CA9CDC25B
SCHEMBL7432858 0.68 CA12 (0.36) KMT2APKMCA12CA9CDC25B
SCHEMBL7670860 0.63 HDAC3 (0.44) KMT2ACA12CA9CDC25BMAPT
SCHEMBL6506585 0.63 NR4A2 (0.36) KMT2ANR4A2GAAMAPTRAB9A
SCHEMBL10914743 0.61 CYP1A2 (0.50) KMT2ANR4A2GAAMAPTRAB9A
Anthraquinone SCHEMBL28166312 0.61 CDC25B (0.60) KMT2ACA12CA9CDC25BMAPT
SCHEMBL11043861 0.61 CDC25B (0.40) KMT2ACDC25BMAPTRAB9ASMN1; SMN2
Anthraquinone SCHEMBL17747127 0.60 CDC25B (0.57) KMT2APKMCA12CA9CDC25B
SCHEMBL9249286 0.60 MGLL (0.31)
Anthraquinone SCHEMBL29019964 0.60 CDC25B (0.57) KMT2ACA12CA9CDC25BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP claimed
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP disclosed
EP-0706521-B1 IMIDES AS TNF ALPHA INHIBITORS CELGENE CORP (US) 2002-10-02 EP disclosed
EP-1004581-A2 Process for the preparation of thalidomide CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004580-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004572-A2 Amines as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-0769051-A4 GENES ENCODING AND METHOD OF EXPRESSING A NOVEL ENZYME: PHTHALYL AMIDASE LILLY CO ELI (US) 1998-01-28 EP disclosed
EP-0771349-A4 ENZYME FROM MICROBIAL SOURCE: PHTHALYL AMIDASE LILLY CO ELI (US) 1998-01-14 EP disclosed
EP-0771349-A1 ENZYME FROM MICROBIAL SOURCE: PHTHALYL AMIDASE ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
EP-0769051-A1 GENES ENCODING AND METHOD OF EXPRESSING A NOVEL ENZYME: PHTHALYL AMIDASE ELI LILLY AND COMPANY (US) 1997-04-23 EP disclosed
US-5607850-A AEROBICALLY CULTIVATING XANTHOBACTER AGILIS NRRL B-21115 OR MUTANT IN AQUEOUS NUTRIENT MEDIUM CONTAINING C AND N SOURCES AND MINERAL SALTS AT PH 6-8, DIGESTING THE CELLS, PURIFYING AMIDASE ELI LILLY AND COMPANY (US) 1997-03-04 US disclosed
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 US disclosed
US-5543497-A EFFECTS REMOVAL OF THE PHTHALYL GROUP FROM A PHTHALAMIDE-BLOCKED AMINE; PROTECTION OF AMINE GROUPS IN THE SYNTHESIS OF ANTIBIOTICS, E.G. CARBOCEPHALOSPORINS, AND PEPTIDES ELI LILLY AND COMPANY (US) 1996-08-06 US disclosed
US-5532149-A REACTED UNDER MILDY BASIC CONDITIONS; STEREOCHEMICAL SELECTIVITY, HIGH YIELD ELI LILLY AND COMPANY (US) 1996-07-02 US disclosed
US-5532161-A CATALYZES REMOVAL OF PHTHALYL GROUP FROM PHTHALYL AMIDES; HYDROLYSIS CATALYST ELI LILLY AND COMPANY (US) 1996-07-02 US disclosed
WO-1996002636-A1 GENES ENCODING AND METHOD OF EXPRESSING A NOVEL ENZYME: PHTHALYL AMIDASE ELI LILLY AND COMPANY (US) 1996-02-01 WO disclosed
WO-1996002630-A1 ANALYTICAL AND PREPARATIVE METHODS FOR PURIFYING PHTHALYL AMIDASE FROM XANTHOBACTER AGILIS ELI LILLY AND COMPANY (US) 1996-02-01 WO disclosed
WO-1996002635-A1 ENZYME FROM MICROBIAL SOURCE: PHTHALYL AMIDASE ELI LILLY AND COMPANY (US) 1996-02-01 WO disclosed
US-5451522-A Genes encoding and method of expressing an enzyme: phthalyl amidase ELI LILLY AND COMPANY (US) 1995-09-19 US disclosed
US-5445959-A Enzyme from microbial source: phthalyl amidase ELI LILLY AND COMPANY (US) 1995-08-29 US disclosed