SCHEMBL23739470

SCHEMBL23739470

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ THRB P10828 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SDCBP O00560 1/20 0.33
▸ SDC2 P34741 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
SCHEMBL21848620 0.90 THRB (0.34) LMNAALDH1A1THRBPOLBTP53
SCHEMBL23739497 0.88 THRB (0.33) LMNAALDH1A1THRBPOLBTP53
SCHEMBL23934675 0.88 THRB (0.33) LMNAALDH1A1THRBPOLBTP53
SCHEMBL26443198 0.88 ALDH1A1 (0.36) LMNAALDH1A1THRBPOLBTP53
SCHEMBL22788978 0.86 THRB (0.34) LMNAALDH1A1THRBPOLBMAPT
SCHEMBL23934357 0.85 ALDH1A1 (0.37) LMNAALDH1A1THRBPOLBTP53
SCHEMBL24160213 0.85 THRB (0.38) LMNAALDH1A1THRBPOLBTP53
SCHEMBL23129062 0.85 MAPT (0.40) LMNAALDH1A1THRBPOLBMAPT
SCHEMBL23739877 0.84 MAPT (0.38) LMNAALDH1A1THRBPOLBTP53
SCHEMBL13258696 0.84 THRB (0.38) LMNAALDH1A1THRBPOLBTP53

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-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
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