SCHEMBL10662332

SCHEMBL10662332

ClC(Cl)(Cl)c1ccc(Br)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ AHR P35869 2/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PYCR1 P32322 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
SCHEMBL11552544 0.80 HSP90AA1 (0.41) ALOX15MAPK1TDP1ALDH1A1HSP90AA1
SCHEMBL11550638 0.78 TSHR (0.60) ALOX15MAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL11602444 0.78 TSHR (0.44) ALOX15MAPK1TDP1TSHRCYP3A4
SCHEMBL11553868 0.78 TSHR (0.60) MAPK1TDP1ALDH1A1TSHRCYP3A4
SCHEMBL11602607 0.75 CYP3A4 (0.36) MAPK1TDP1TSHRCYP3A4
SCHEMBL12732927 0.75 ALOX15 (0.42) ALOX15MAPK1TDP1ALDH1A1HSP90AA1
SCHEMBL672252 0.75 NOTUM (0.47) ALOX15MAPK1TDP1ALDH1A1HSP90AA1
SCHEMBL18242050 0.73 HSP90AA1 (0.44) ALOX15MAPK1TDP1ALDH1A1HSP90AA1
SCHEMBL10972083 0.73 CYP3A4 (0.34) MAPK1TDP1TSHRCYP3A4
SCHEMBL10972079 0.73 TSHR (0.34) MAPK1TDP1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4783562-A Process for the preparation of trichloromethyl-substituted aromatic compounds, and trichloromethyl-substituted aromatic compounds obtained in this process BAYER AKTIENGESELLSCHAFT (DE) 1988-11-08 — — US disclosed
EP-0061029-B1 PROCESS FOR THE PREPARATION OF TRICHLOROMETHYL-SUBSTITUTED AROMATIC COMPOUNDS BAYER AG (DE) 1986-01-08 — — EP disclosed
EP-0031436-B1 A METHOD FOR THE CLEAVAGE OF SILOXANES HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1984-02-15 — — EP disclosed
EP-0061029-A1 Process for the preparation of trichloromethyl-substituted aromatic compounds BAYER AG (DE) 1982-09-29 — — EP disclosed
US-4310680-A METAL OR METAL COMPOUND CATALYST DYNAMIT NOBEL AG (DE) 1982-01-12 — — US disclosed
EP-0031436-A2 A method for the cleavage of siloxanes HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1981-07-08 — — EP disclosed
US-4163753-A FROM AN ALIPHATIC ACID ANHYDRIDE AND A TRICHLOROMETHYL AROMATIC COMPOUND Diaz Chemical Corporation (US) 1979-08-07 — — US disclosed
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