SCHEMBL30558158

SCHEMBL30558158

COc1ncc(Oc2c(C)cc(N)cc2C)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
P2RX3 P56373 5/20 0.37
P2RX2 Q9UBL9 5/20 0.37
THRB P10828 5/20 0.36
THRA P10827 4/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL24449959 1.00 RORC (0.41) RORCPIK3R1PIK3CAP2RX3P2RX2
SCHEMBL29527631 0.85 RORC (0.53) RORCPIK3R1PIK3CAP2RX3P2RX2
SCHEMBL22959151 0.85 RORC (0.53) RORCPIK3R1PIK3CAP2RX3P2RX2
SCHEMBL24449305 0.85 RORC (0.41) RORCPIK3R1PIK3CAP2RX3P2RX2
SCHEMBL24449302 0.81 RORC (0.41) RORCTHRBTHRAGAAMAPT
SCHEMBL24449964 0.80 RORC (0.46) RORCPIK3R1PIK3CAP2RX3P2RX2
SCHEMBL22959236 0.76 RORC (0.47) RORCP2RX3P2RX2THRBMAPT
SCHEMBL115578 0.75 PIK3R1 (0.40) PIK3R1PIK3CAP2RX3P2RX2POLB
SCHEMBL282017 0.74 THRB (0.53) RORCP2RX3P2RX2THRBTHRA
SCHEMBL29066191 0.74 THRB (0.41) PIK3R1PIK3CAP2RX3P2RX2THRB

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
CN-116710443-A 2-pyridones as thyroid hormone receptor modulators 阿利戈斯治疗公司 2023-09-05 CN disclosed