SCHEMBL7164253

SCHEMBL7164253

CCCCCCc1c[nH]c2ccc(Oc3c(Br)cc(N(CC)C(=O)C(=O)O)cc3Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.47
HTR1B P28222 10/20 0.47
HTR1D P28221 10/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2A P28223 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 2/20 0.42
SLC6A4 P31645 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
SCHEMBL7174740 0.99 HTR1A (0.46) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7085855 0.84 THRA (0.48) HTR1AHTR1BHTR1DKDM4ECYP1A2
SCHEMBL6515801 0.82 THRA (0.50) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6515161 0.81 HTR1A (0.49) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6516461 0.81 THRA (0.50) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7088686 0.81 HTR1B (0.57) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6517176 0.81 HTR1A (0.48) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL7084332 0.80 HTR1B (0.56) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6516223 0.78 THRA (0.51) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6987463 0.78 HTR1A (0.53) HTR1AHTR1BHTR1DMAPTMAPK1

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