SCHEMBL7089355

SCHEMBL7089355

COC(=O)Cc1c[nH]c2ccc(Oc3c(C(F)(F)F)cc([N+](=O)[O-])cc3C(F)(F)F)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.50
THRB P10828 7/20 0.50
FAAH O00519 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR2A P28223 1/20 0.44
MTNR1A P48039 3/20 0.43
NQO2 P16083 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MTNR1B P49286 2/20 0.42
LTA4H P09960 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL7088959 0.84 LTA4H (0.48) THRATHRBFAAHMEN1KMT2A
SCHEMBL7084815 0.83 THRA (0.50) THRATHRBFAAHMEN1KMT2A
SCHEMBL7086847 0.83 LTA4H (0.46) THRATHRBFAAHMEN1KMT2A
SCHEMBL7084248 0.82 LTA4H (0.46) THRATHRBFAAHMEN1KMT2A
SCHEMBL7087739 0.81 HTR1A (0.46) THRATHRBFAAHMEN1KMT2A
SCHEMBL7089347 0.81 THRA (0.51) THRATHRBFAAHMEN1KMT2A
SCHEMBL7085460 0.81 THRA (0.48) THRATHRBFAAHMEN1KMT2A
SCHEMBL7088540 0.80 THRA (0.61) THRATHRBFAAHMEN1KMT2A
SCHEMBL7088551 0.79 THRA (0.75) THRATHRBNR1H2NR1H3
SCHEMBL7091904 0.78 THRA (0.66) THRATHRBHTR2ALTA4HPLA2G2A

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