SCHEMBL7090515

SCHEMBL7090515

CC(C)c1c[nH]c2ccc(Oc3c(Br)cc([N+](=O)[O-])cc3Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 14/20 0.56
THRB P10828 14/20 0.56
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL6511402 0.87 THRA (0.57) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6515758 0.86 THRA (0.60) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7089721 0.85 THRA (0.45) THRATHRBHTR2ALTA4HPLA2G2A
SCHEMBL7091904 0.84 THRA (0.66) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7087694 0.84 THRA (0.58) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7086230 0.83 THRA (0.60) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7088599 0.83 THRA (0.45) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6515497 0.83 THRA (0.58) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7088921 0.83 THRA (0.44) THRATHRB
SCHEMBL22646577 0.80 THRA (0.52) THRATHRBHTR2AHTR2CHTR2B

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