SCHEMBL7089347

SCHEMBL7089347

O=[N+]([O-])c1cc(C(F)(F)F)c(Oc2ccc3[nH]cc(Cc4ccccc4)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.51
THRB P10828 6/20 0.51
LTA4H P09960 4/20 0.42
PLA2G2A P14555 4/20 0.42
HTR2A P28223 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR84 Q9NQS5 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
FAAH O00519 1/20 0.38

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 0.91 THRA (0.61) THRATHRBLTA4HPLA2G2AHTR2A
SCHEMBL7088959 0.84 LTA4H (0.48) THRATHRBLTA4HPLA2G2AHTR2A
SCHEMBL7084815 0.83 THRA (0.50) THRATHRBLTA4HPLA2G2AHTR2A
SCHEMBL6520210 0.83 THRA (0.68) THRATHRBLTA4HPLA2G2ATRPM8
SCHEMBL7086847 0.82 LTA4H (0.46) THRATHRBLTA4HPLA2G2AHTR2A
SCHEMBL7084248 0.82 LTA4H (0.46) THRATHRBLTA4HPLA2G2AHTR2A
SCHEMBL7087739 0.81 HTR1A (0.46) THRATHRBLTA4HPLA2G2AHTR2A
SCHEMBL7089355 0.81 THRA (0.50) THRATHRBLTA4HPLA2G2AHTR2A
SCHEMBL7085460 0.80 THRA (0.48) THRATHRBLTA4HPLA2G2AHTR2A
SCHEMBL7091904 0.78 THRA (0.66) THRATHRBLTA4HPLA2G2AHTR2A

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