SCHEMBL9409745

SCHEMBL9409745

O=C(c1cc(C(=O)C(Br)(Br)Br)cc(C(=O)C(Br)(Br)Br)c1)C(Br)(Br)Br

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES1 P23141 3/20 0.32
CES2 O00748 3/20 0.32
TTR P02766 1/20 0.32
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 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
SCHEMBL10489554 0.79 TP53 (0.44) CES1CES2CA1CA2TP53
SCHEMBL13908189 0.78 ALOX15 (0.46) TDP1TSHR
SCHEMBL11806725 0.78 TTR (0.62) TDP1TTRCA1CA2TSHR
SCHEMBL8721308 0.73 PPARG (0.36) L3MBTL1
SCHEMBL1799477 0.71 CES1 (0.64) ATMTDP1L3MBTL1CES1CES2
SCHEMBL4656447 0.69 CES2 (0.62) TDP1L3MBTL1CES1CES2CA12
SCHEMBL4656482 0.68 PARP1 (0.63) ATML3MBTL1TP53TSHR
SCHEMBL10336500 0.68 TSHR (0.61) TSHR
SCHEMBL10405986 0.67 CES2 (0.59) ATML3MBTL1CES1CES2CA1
SCHEMBL813450 0.67 PARP1 (0.53) TDP1L3MBTL1LCKCA1CA2

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
EP-0620500-A2 Resist and pattern formation using the same HITACHI, LTD. (JP) 1994-10-19 EP disclosed