SCHEMBL6185644

SCHEMBL6185644

COC(=O)c1c(CBr)[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.63
ALOX5 P09917 7/20 0.56
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KIF11 P52732 1/20 0.49
IDO1 P14902 1/20 0.49
PTPN1 P18031 1/20 0.49
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL15175477 0.86 NR4A2 (0.65) NR4A2ALOX5KDM4EMEN1KMT2A
SCHEMBL22275928 0.86 NR4A2 (0.65) NR4A2ALOX5KDM4EMEN1KMT2A
SCHEMBL7461349 0.86 NR4A2 (0.57) NR4A2ALOX5KDM4EMEN1KMT2A
SCHEMBL14638989 0.85 NR4A2 (0.63) NR4A2ALOX5KDM4EMEN1KMT2A
SCHEMBL7474876 0.84 NR4A2 (0.61) NR4A2ALOX5KDM4EMEN1KMT2A
SCHEMBL9358044 0.82 NR4A2 (0.60) NR4A2ALOX5KDM4EMEN1KMT2A
SCHEMBL9353789 0.80 NR4A2 (0.57) NR4A2ALOX5KDM4EMEN1KMT2A
SCHEMBL15174192 0.80 NR4A2 (0.69) NR4A2ALOX5KDM4EMEN1KMT2A
SCHEMBL9353800 0.78 NR4A2 (0.55) NR4A2ALOX5KDM4EMEN1KMT2A
SCHEMBL6216675 0.78 NR4A2 (1.00) NR4A2ALOX5KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed