SCHEMBL7258641

SCHEMBL7258641

COc1ccc(Oc2cc(F)nc(Cl)c2Cl)cc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.49
▸ THRB P10828 6/20 0.49
▸ P2RX3 P56373 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ CYP2D6 P10635 2/20 0.38
▸ ADRA2A P08913 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ HTT P42858 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
SCHEMBL6694690 0.80 RORC (0.56) RORCTHRBP2RX3P2RX2CYP2D6
SCHEMBL7258655 0.79 RORC (0.46) RORCTHRBTHRA
SCHEMBL7263674 0.72 THRB (0.44) RORCTHRBP2RX3P2RX2CYP2D6
SCHEMBL6367085 0.71 RORC (0.62) RORCTHRBCYP2D6ADRA2AADRA1A
SCHEMBL487152 0.71 CYP2D6 (0.67) RORCTHRBP2RX3P2RX2CYP2D6
SCHEMBL8062067 0.70 RORC (0.51) RORCTHRBTHRA
SCHEMBL22959261 0.69 THRB (0.70) RORCTHRBTHRA
SCHEMBL6818059 0.69 RORC (0.70) RORCTHRBP2RX3P2RX2THRA
SCHEMBL31179987 0.69 P2RX3 (0.52) RORCTHRBP2RX3P2RX2CYP2D6
SCHEMBL14264315 0.68 RORC (0.62) RORCTHRBP2RX3P2RX2CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003094845-A2 PYRIDINE-BASED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-20 — — WO disclosed
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