SCHEMBL7167441

SCHEMBL7167441

CCc1cc2c(n1Cc1ccccc1)CCCC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 1.00
CSNK2A2 P19784 4/20 0.50
CSNK2B P67870 4/20 0.50
CSNK2A1 P68400 4/20 0.50
ABCG2 Q9UNQ0 3/20 0.50
HPGD P15428 3/20 0.46
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SLC2A1 P11166 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
FABP4 P15090 2/20 0.39
PKN1 Q16512 1/20 0.39

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
SCHEMBL21423949 0.88 BRD4 (0.79) BRD4CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL21410145 0.87 BRD4 (0.77) BRD4CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL21410459 0.86 BRD4 (0.76) BRD4CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL7646032 0.85 BRD4 (0.72) BRD4CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL22916953 0.85 BRD4 (0.73) BRD4CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL5697188 0.84 BRD4 (0.72) BRD4CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL5697129 0.83 BRD4 (0.71) BRD4CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL23174938 0.81 BRD4 (0.67) BRD4CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL21410242 0.81 BRD4 (0.67) BRD4HPGDLMNAHTTSMN1; SMN2
SCHEMBL21410434 0.80 BRD4 (0.66) BRD4HPGDLMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
US-6617460-B1 5-hydrocarbylsulfoxy-4,5,6,7-tetrahydroindol-4-one intermediates useful in the preparation of 1H-indole-3-glyoxamides. ELI LILLY AND COMPANY 2003-09-09 US disclosed
US-6570023-B1 Chemical intermediate for drug to threat sepsis shock, rheumatic diseases ELI LILLY AND COMPANY 2003-05-27 US disclosed
EP-1119549-A4 PROCESS FOR PREPARING 4-SUBSTITUTED-1H-INDOLE-3-GLYOXAMIDES LILLY CO ELI (US) 2003-01-29 EP disclosed
US-6407261-B1 OXIDIZING THE CORRESPONDING KETONE COMPOUND BY HEATING WITH A SUKFINATING COMPOUND ELI LILLY AND COMPANY 2002-06-18 US disclosed
US-6380397-B1 HALOGENATION AN OXOESTER COMPOUND; HYDROLYSIS AND DECARBOXYLATION; ALKYLATION; AMINATION; REACTING OXALY CHLORIDE ELI LILLY AND COMPANY 2002-04-30 US disclosed
EP-1071661-A4 PROCESS FOR PREPARING 4-HYDROXY INDOLE, INDAZOLE AND CARBAZOLE COMPOUNDS LILLY CO ELI (US) 2001-08-22 EP disclosed
EP-1119549-A1 PROCESS FOR PREPARING 4-SUBSTITUTED-1H-INDOLE-3-GLYOXAMIDES ELI LILLY AND COMPANY (US) 2001-08-01 EP disclosed
US-6265591-B1 HALOGENATING KETO ESTER COMPOUND; HYDROLYSIS AND DECARBOXYLATION; ALKYLATING; AMINATION AND DEHYDRATION TO FORM TRIKETO COMPOUND; AMINATING; OXIDATION, ALKYLATING; REACTING INDOLE DERIVATIVE WITH OXALYL CHLORIDE AND AMMONIA ELI LILLY AND COMPANY 2001-07-24 US disclosed
EP-1071661-A1 PROCESS FOR PREPARING 4-HYDROXY INDOLE, INDAZOLE AND CARBAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2001-01-31 EP disclosed
WO-2000021929-A1 PROCESS FOR PREPARING 4-SUBSTITUTED-1H-INDOLE-3-GLYOXAMIDES ELI LILLY AND COMPANY (US) 2000-04-20 WO disclosed
US-5986106-A Process for preparing 4-substituted-1H-indole-3-glyoxamides ELI LILLY AND COMPANY (US) 1999-11-16 US disclosed
WO-1999054295-A1 PROCESS FOR PREPARING 4-HYDROXY INDOLE, INDAZOLE AND CARBAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-10-28 WO disclosed
EP-0887342-A2 Process for preparing 4-substituted-1H-indole-3-glyoxamides ELI LILLY AND COMPANY (US) 1998-12-30 EP disclosed