SCHEMBL23934675

SCHEMBL23934675

C#CCCc1cccc2c1CN(C(CCC=O)C(=O)NC)C2=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SDCBP O00560 1/20 0.31
▸ SDC2 P34741 1/20 0.31

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
SCHEMBL23739470 0.88 LMNA (0.36) THRBALDH1A1MAPTGAALMNA
SCHEMBL21848620 0.87 THRB (0.34) THRBALDH1A1MAPTGAALMNA
SCHEMBL23739497 0.85 THRB (0.33) THRBALDH1A1MAPTGAALMNA
SCHEMBL23934426 0.84 POLB (0.34) THRBALDH1A1MAPTGAALMNA
SCHEMBL26443198 0.84 ALDH1A1 (0.36) THRBALDH1A1MAPTGAALMNA
SCHEMBL22788978 0.83 THRB (0.34) THRBALDH1A1MAPTGAALMNA
SCHEMBL23934694 0.82 KDM4E (0.30) KDM4EALOX15
SCHEMBL24160213 0.82 THRB (0.38) THRBALDH1A1MAPTGAALMNA
SCHEMBL23934357 0.82 ALDH1A1 (0.37) THRBALDH1A1MAPTGAALMNA
SCHEMBL23129062 0.82 MAPT (0.40) THRBALDH1A1MAPTGAALMNA

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
EP-3896062-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-10-20 — — EP disclosed
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