SCHEMBL28500041

SCHEMBL28500041

CC(C)c1cc(Oc2c(Cl)cc(NC(=O)/C=C/C(=O)O)cc2Cl)nnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 11/20 0.49
▸ THRA P10827 8/20 0.49
▸ ALDH1A1 P00352 4/20 0.45
▸ HTT P42858 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL30399816 0.90 LMNA (0.47) THRBTHRAALDH1A1HTTKDM4E
SCHEMBL22660344 0.90 LMNA (0.47) THRBTHRAALDH1A1HTTKDM4E
SCHEMBL2921895 0.84 THRA (0.67) THRBTHRA
SCHEMBL22660382 0.84 THRB (0.44) THRBTHRA
SCHEMBL22668330 0.82 THRB (0.51) THRBTHRARORC
SCHEMBL22660347 0.82 THRB (0.74) THRBTHRA
SCHEMBL22660397 0.81 THRB (0.42) THRBTHRA
SCHEMBL2925463 0.81 THRB (0.54) THRBTHRARORC
SCHEMBL28564400 0.79 THRB (0.48) THRBTHRARORC
SCHEMBL22660400 0.79 THRB (0.48) THRBTHRARORC

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
CN-111909137-B Pyridazinone derivative and application thereof 深圳微芯生物科技股份有限公司 2023-05-30 — — CN disclosed
CN-111909137-A Pyridazinone derivative and application thereof 深圳微芯生物科技股份有限公司 2020-11-10 — — CN disclosed
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