SCHEMBL23739899

SCHEMBL23739899

CNC(=O)C(CCC=O)N1Cc2c(OCCCNC=O)cccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 3/20 0.33
▸ THRB P10828 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23739667 0.92 POLB (0.35) POLBALDH1A1LMNAGAATHRB
SCHEMBL23739890 0.90 POLB (0.35) POLBALDH1A1LMNAGAATHRB
SCHEMBL24572202 0.90 POLB (0.35) POLBALDH1A1LMNAGAATHRB
SCHEMBL23739521 0.89 POLB (0.35) POLBALDH1A1LMNAGAATHRB
SCHEMBL23934426 0.86 POLB (0.34) POLBALDH1A1LMNAGAATHRB
SCHEMBL23739656 0.83 IDO1 (0.38) POLBALDH1A1LMNAGAATHRB
SCHEMBL21658797 0.83 MAPT (0.40) POLBALDH1A1LMNATHRBMEN1
SCHEMBL21658677 0.82 THRB (0.38) POLBALDH1A1LMNAGAATHRB
SCHEMBL19222235 0.82 MAPT (0.35) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL19309935 0.81 CARM1 (0.41) POLBALDH1A1LMNAGAATHRB

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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