SCHEMBL30558175

SCHEMBL30558175

Nc1cc(Cl)c(Oc2ccc(=O)n(C3CCC3)c2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 2/20 0.32
▸ BMPR1A P36894 2/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ ACVRL1 P37023 2/20 0.32
▸ ACVR1 Q04771 2/20 0.32
▸ THRB P10828 3/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.31
▸ NPBWR1 P48145 1/20 0.31
▸ ATR Q13535 1/20 0.30
▸ SRC P12931 1/20 0.30

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
SCHEMBL26643264 0.97 THRB (0.34) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL24600451 0.95 THRB (0.31) BMPR1BBMPR1AACVRL1ACVR1THRB
SCHEMBL29066215 0.83 ALDH1A1 (0.36) —
SCHEMBL26643453 0.81 ALDH1A1 (0.36) —
SCHEMBL24407922 0.79 THRB (0.48) THRB
SCHEMBL29526743 0.79 THRB (0.40) THRBNPBWR1
SCHEMBL26643524 0.78 PDE7A (0.37) —
SCHEMBL24600323 0.78 PPOX (0.32) NPBWR1
SCHEMBL24600445 0.78 PDE4A (0.32) NPBWR1
SCHEMBL24600252 0.74 CREBBP (0.32) NPBWR1

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
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