SCHEMBL7082736

SCHEMBL7082736

CC(C)N(Cc1ccccc1)Cc1c[nH]c2ccc(Oc3c(Br)cc([N+](=O)[O-])cc3Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
HTR2A P28223 2/20 0.40
SCN9A Q15858 1/20 0.39
LTA4H P09960 3/20 0.39
PLA2G2A P14555 3/20 0.39
HTR1D P28221 3/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
FAAH O00519 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A4 P31645 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL7091958 0.87 CYP1A2 (0.46) HTR6HTR2ASCN9ALTA4HPLA2G2A
SCHEMBL7084434 0.78 LTA4H (0.50) HTR6HTR2ALTA4HPLA2G2AHTR1D
SCHEMBL7089721 0.77 THRA (0.45) HTR2ALTA4HPLA2G2ATHRATHRB
SCHEMBL7088062 0.77 LTA4H (0.48) HTR2ALTA4HPLA2G2AHTR1DMEN1
SCHEMBL7088921 0.77 THRA (0.44) THRATHRBMEN1KMT2AFAAH
SCHEMBL7090515 0.76 THRA (0.56) HTR2ALTA4HPLA2G2ATHRATHRB
SCHEMBL7082793 0.76 LTA4H (0.48) HTR2ALTA4HPLA2G2AHTR1DMEN1
SCHEMBL7088534 0.75 HTR1B (0.48) HTR2ALTA4HPLA2G2AHTR1DMEN1
SCHEMBL7087730 0.75 THRA (0.48) HTR2ALTA4HPLA2G2ATHRATHRB
SCHEMBL7085718 0.73 HTR1D (0.50) HTR6HTR2ALTA4HPLA2G2AHTR1D

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