SCHEMBL23739743

SCHEMBL23739743

O=CCCCOc1cccc2c1CN(C(C=O)CCC=O)C2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ TRPM2 O94759 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ ABCB1 P08183 3/20 0.32
▸ CRBN Q96SW2 1/20 0.31
▸ IKZF3 Q9UKT9 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HPGD P15428 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
SCHEMBL23740007 0.85 MAPT (0.34) ABCB1HTTLMNASMN1; SMN2MAPT
SCHEMBL23739741 0.83 ALDH1A1 (0.32) HTR2AHTR2CHTR2BABCB1ALDH1A1
SCHEMBL19069052 0.83 POLB (0.41) CRBNIKZF3HTTPOLBRECQL
SCHEMBL23739663 0.81 MAPT (0.48) HTTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL19069020 0.80 CRBN (0.38) PARP1CRBNMEN1KMT2AALOX15
SCHEMBL23739693 0.79 HTR1A (0.44) HTR2AABCB1
SCHEMBL23739846 0.79 ALDH1A1 (0.35) HTR2CTRPM2PARP1ABCB1ALDH1A1
SCHEMBL23739841 0.79 MAPT (0.53) HTTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL20169760 0.78 CRBN (0.53) CRBNIKZF3HTTALDH1A1L3MBTL1
SCHEMBL20631262 0.78 — —

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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