SCHEMBL7086992

SCHEMBL7086992

Cc1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(N)cc3C(F)(F)F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.49
THRB P10828 10/20 0.49
KDR P35968 1/20 0.43
AR P10275 2/20 0.37
HTR2B P41595 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
HTR1A P08908 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
ATM Q13315 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
HTR4 Q13639 1/20 0.34

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
SCHEMBL7088864 0.85 THRA (0.47) THRATHRBKDRARHTR1A
SCHEMBL7082352 0.84 THRA (0.69) THRATHRBHTR2BHTR1AHTR2A
SCHEMBL7088178 0.84 THRA (0.52) THRATHRBHTR2BTRPM8HTR1A
SCHEMBL7082348 0.84 THRA (0.55) THRATHRBKDRHTR2BTRPM8
SCHEMBL7085460 0.82 THRA (0.48) THRATHRBCYP1A2HTR2A
SCHEMBL7085754 0.82 THRA (0.48) THRATHRBTRPM8HTR1AHTR1D
SCHEMBL7088630 0.81 THRA (0.47) THRATHRBKDRHTR2BTRPM8
SCHEMBL7088760 0.81 THRA (0.52) THRATHRBHTR2BTRPM8HTR1A
SCHEMBL7089038 0.80 THRA (0.58) THRATHRBARHTR2BHTR2A
SCHEMBL7085031 0.80 HTR1A (0.50) THRATHRBTRPM8HTR1AHTR1D

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