SCHEMBL9370511

SCHEMBL9370511

Clc1ccc(C(Br)CBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
HIF1A Q16665 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ADRB2 P07550 1/20 0.41
CYP2A6 P11509 1/20 0.40
CYP19A1 P11511 3/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
AOC3 Q16853 2/20 0.37
GSK3B P49841 1/20 0.37
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7640651 0.87 LMNA (0.31) TDP1LMNASLC6A3CYP2D6CYP2C9
SCHEMBL7112239 0.78 ADRB2 (0.44) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL6645020 0.78 TSHR (0.41) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL28795633 0.77 CYP2A6 (0.42) MAPK1CYP2A6CYP19A1SLC6A4SLC6A3
SCHEMBL2697966 0.77 TSHR (0.44) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL8972988 0.75 CHRNA7 (0.41) TDP1LMNACYP19A1IDO1GSK3B
SCHEMBL10915629 0.75 ESR1 (0.50) TSHRHIF1ATDP1LMNAHPGD
SCHEMBL8002960 0.75 LMNA (0.30) TDP1LMNASLC6A3CYP2D6CYP2C9
SCHEMBL28858478 0.75 TSHR (0.48) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL6679604 0.75 SLC6A2 (0.41) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1009093-B Process for producing ketene S, S-acetal derivative NIHON NOHYAKU CO LTD (JP) 1990-08-08 CN claimed
CN-114805044-A Novel method for synthesizing dibromo compound 兰州大学 2022-07-29 CN disclosed
EP-0347960-B1 Photosensitive recording material suited for use in electrophotography AGFA GEVAERT NV (BE) 1994-07-06 EP disclosed
EP-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP disclosed
US-4981768-A Photosensitive recording material having an N-aryl carbazole p-type charge transport compound AGFA-GEVAERT, N.V. (BE) 1991-01-01 US disclosed
US-4943502-A TWO LAYER SYSTEM OF CHARGE GENERATING AND CHARGE TRANSPORTING COMPOUNDS AGFA-GEVAERT, N.V. (BE) 1990-07-24 US disclosed
EP-0347960-A1 Photosensitive recording material suited for use in electrophotography AGFA-GEVAERT N.V. (BE) 1989-12-27 EP disclosed
EP-0347967-A1 Photosensitive recording material suited for use in electrophotography AGFA-GEVAERT N.V. (BE) 1989-12-27 EP disclosed
EP-0254078-A1 Pyran derivatives BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed