SCHEMBL7461519

SCHEMBL7461519

Cc1oc2c(Br)cc(Cl)cc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.43
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
AHR P35869 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
MCL1 Q07820 2/20 0.34
F12 P00748 2/20 0.33
ALDH1A2 O94788 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH1B1 P30837 1/20 0.32
ALDH1A3 P47895 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NSD2 O96028 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL23261463 0.80 AHR (0.53) AHRALDH1A1HSD17B10TSHRMCL1
SCHEMBL12925983 0.80 AHR (0.50) AHRALDH1A1HSD17B10TSHRALDH1A2
SCHEMBL24792108 0.80 ESR1 (0.40) MAOBMAOAALDH1A1HSD17B10TSHR
SCHEMBL29853317 0.79 SIRT2 (0.46) SIRT2MAOBMAOAAHRMCL1
SCHEMBL23218103 0.78 SIRT2 (0.42) SIRT2MAOBMAOAAHRMCL1
SCHEMBL27185717 0.78 SIRT2 (0.42) SIRT2MAOBMAOAAHRALDH1A1
SCHEMBL27185544 0.78 SIRT2 (0.42) SIRT2MAOBMAOAAHRMCL1
SCHEMBL27185500 0.78 SIRT2 (0.42) SIRT2MAOBMAOAAHRALDH1A1
SCHEMBL29784507 0.78 SIRT2 (0.42) SIRT2MAOBMAOAAHRALDH1A1
SCHEMBL7458526 0.77 ALDH1A1 (0.35) ALDH1A1HSD17B10TSHRALDH1A2ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1149085-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2001-10-31 EP disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2001009111-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2000044737-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2000-08-03 WO disclosed