SCHEMBL7085855

SCHEMBL7085855

CCN(C(=O)C(=O)O)c1cc(Br)c(Oc2ccc3[nH]cc(C)c3c2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.48
THRB P10828 10/20 0.48
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL7088676 0.91 THRA (0.56) THRATHRBKMT2AMEN1ALDH1A1
SCHEMBL7174740 0.85 HTR1A (0.46) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL7164253 0.84 HTR1A (0.47) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL7088630 0.75 THRA (0.47) THRATHRBALDH1A1CYP1A2CYP2C19
SCHEMBL7130898 0.73 THRA (0.38) THRATHRBKMT2AMEN1ALDH1A1
SCHEMBL7089721 0.71 THRA (0.45) THRATHRBKMT2AMEN1ALDH1A1
SCHEMBL13381600 0.69 THRA (0.56) THRATHRBCYP1A2KDM4EHTR1A
SCHEMBL7135882 0.69 THRA (0.43) THRATHRBHTR1AHTR1B
SCHEMBL6862010 0.69 KDM4E (0.53) THRATHRBKMT2AMEN1KDM4E
SCHEMBL6515562 0.68 MTNR1A (0.50) THRATHRBKMT2AMEN1ALDH1A1

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