SCHEMBL11552544

SCHEMBL11552544

ClC(Cl)(Cl)c1cc(Br)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ S100A4 P26447 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ AHR P35869 2/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ KDM1A O60341 2/20 0.32
▸ PTPRC P08575 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL10662332 0.80 ALOX15 (0.42) HSP90AA1TLR9ALOX15MAPK1TDP1
SCHEMBL27413372 0.78 TSHR (0.43) ALOX15MAPK1TDP1ALDH1A1TSHR
SCHEMBL11599913 0.78 TSHR (0.44) MAPK1TDP1TSHRCYP3A4MAPT
SCHEMBL8576899 0.76 KDM1A (0.34) ALOX15MAPK1TDP1TSHRCYP3A4
SCHEMBL11602607 0.75 CYP3A4 (0.36) MAPK1TDP1TSHRCYP3A4
SCHEMBL30645676 0.75 PTGDR2 (0.44) HSP90AA1TLR9ALOX15MAPK1TDP1
SCHEMBL31373428 0.75 KDM1A (0.48) HSP90AA1TLR9ALOX15KDM1AMEN1
SCHEMBL7178861 0.75 PTGDR2 (0.44) HSP90AA1TLR9ALOX15MAPK1TDP1
SCHEMBL31373429 0.75 KDM1A (0.48) HSP90AA1TLR9ALOX15KDM1AMEN1
SCHEMBL394303 0.75 KDM1A (0.48) HSP90AA1TLR9ALOX15KDM1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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