SCHEMBL7087730

SCHEMBL7087730

O=[N+]([O-])c1cc(Br)c(Oc2ccc3[nH]cc(Cc4ccc(F)cc4)c3c2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
HTR2A P28223 2/20 0.44
LTA4H P09960 2/20 0.43
PLA2G2A P14555 2/20 0.43
GPR84 Q9NQS5 5/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR4 P31391 1/20 0.38
SSTR3 P32745 1/20 0.38
HSPB1 P04792 1/20 0.37
SNCA P37840 1/20 0.36
NQO2 P16083 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
SCHEMBL7088540 0.86 THRA (0.61) THRATHRBHTR2ALTA4HPLA2G2A
SCHEMBL6512401 0.82 THRB (0.54) THRATHRBHTR2AGPR84MAPT
SCHEMBL7084434 0.81 LTA4H (0.50) HTR2ALTA4HPLA2G2AMEN1KMT2A
SCHEMBL8544378 0.80 GPR84 (0.54) HTR2AGPR84MEN1KMT2ASNCA
SCHEMBL6516473 0.80 THRA (0.54) THRATHRBHTR2AGPR84MEN1
SCHEMBL6512774 0.80 THRA (0.50) THRATHRBHTR2ALTA4HPLA2G2A
SCHEMBL7088062 0.80 LTA4H (0.48) HTR2ALTA4HPLA2G2AMEN1KMT2A
SCHEMBL7082793 0.79 LTA4H (0.48) HTR2ALTA4HPLA2G2AMEN1KMT2A
SCHEMBL7082617 0.78 LTA4H (0.43) HTR2ALTA4HPLA2G2AMEN1KMT2A
SCHEMBL7088534 0.78 HTR1B (0.48) HTR2ALTA4HPLA2G2AMEN1KMT2A

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