SCHEMBL6978734

SCHEMBL6978734

O=[N+]([O-])c1ccc(F)c(Br)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
HIF1A Q16665 2/20 0.48
VCAM1 P19320 1/20 0.46
CASP6 P55212 1/20 0.44
TSHR P16473 4/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
VCP P55072 1/20 0.37
MEN1 O00255 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
SCHEMBL29711979 0.85 TDP1 (0.48) TDP1ATMMAPTALDH1A1HIF1A
SCHEMBL660797 0.85 TDP1 (0.48) TDP1ATMMAPTALDH1A1HIF1A
SCHEMBL632916 0.85 MAPT (0.56) TDP1ATMMAPTALDH1A1HIF1A
SCHEMBL29793298 0.85 MAPT (0.56) TDP1ATMMAPTALDH1A1HIF1A
SCHEMBL34460054 0.82 ALDH1A1 (0.47) TDP1ATMMAPTALDH1A1HIF1A
SCHEMBL22833410 0.82 CYP1A2 (0.52) TDP1ATMMAPTALDH1A1HIF1A
SCHEMBL3345953 0.82 ALDH1A1 (0.47) TDP1ATMMAPTALDH1A1HIF1A
SCHEMBL10835047 0.82 GPR35 (0.50) TDP1ATMMAPTALDH1A1HIF1A
SCHEMBL33527983 0.82 TDP1 (0.50) TDP1ATMMAPTALDH1A1HIF1A
SCHEMBL29069638 0.82 TDP1 (0.52) TDP1ATMMAPTALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed