SCHEMBL9147474

SCHEMBL9147474

CC=CC(Br)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ADRB2 P07550 1/20 0.41
SLC6A4 P31645 2/20 0.35
BRD4 O60885 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP19A1 P11511 3/20 0.34
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
AOC3 Q16853 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL9874404 0.75 TSHR (0.42) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL9663717 0.74 TSHR (0.55) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL2091742 0.74 TSHR (0.55) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL118609 0.73 HSD17B10 (0.42) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL12361684 0.71 TSHR (0.43) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL2095630 0.71 SLC6A4 (0.40) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL624797 0.69 ADRB2 (0.56) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL29200286 0.69 TSHR (0.46) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL1500533 0.68 TSHR (0.50) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL6190849 0.68 TSHR (0.50) TSHRMAPK1HIF1ATDP1LMNA

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-0666849-A4 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1995-12-13 EP disclosed
EP-0666849-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-16 EP disclosed
WO-1994010148-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-11 WO disclosed