SCHEMBL29906670

SCHEMBL29906670

CN(C)C(=O)/C(C#N)=C/c1cc2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 2/20 0.55
▸ MEN1 O00255 10/20 0.46
▸ KMT2A Q03164 10/20 0.46
▸ ALDH1A1 P00352 9/20 0.46
▸ MAPT P10636 9/20 0.46
▸ USP2 O75604 7/20 0.46
▸ LMNA P02545 6/20 0.46
▸ GAA P10253 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ RECQL P46063 3/20 0.46
▸ TLR9 Q9NR96 1/20 0.46
▸ CASP1 P29466 5/20 0.44
▸ CASP7 P55210 5/20 0.44
▸ ALOX15 P16050 4/20 0.44
▸ BRCA1 P38398 2/20 0.44
▸ HBB P68871 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HSD17B10 Q99714 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41

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
SCHEMBL26936294 1.00 SLC16A3 (0.55) SLC16A3MEN1KMT2AALDH1A1MAPT
SCHEMBL19506949 0.91 SLC16A3 (0.52) SLC16A3MEN1KMT2AALDH1A1MAPT
SCHEMBL19506950 0.80 SLC16A3 (0.47) SLC16A3MEN1KMT2AALDH1A1MAPT
SCHEMBL21886324 0.80 SLC16A3 (0.60) SLC16A3MEN1KMT2AALDH1A1MAPT
SCHEMBL19506952 0.76 SLC16A3 (0.45) SLC16A3MEN1KMT2AALDH1A1MAPT
SCHEMBL2576387 0.76 SLC16A3 (0.66) SLC16A3MEN1KMT2AALDH1A1MAPT
SCHEMBL13486867 0.76 SLC16A3 (0.64) SLC16A3MEN1KMT2AALDH1A1MAPT
SCHEMBL19519722 0.75 SLC16A3 (0.56) SLC16A3MEN1KMT2AALDH1A1MAPT
SCHEMBL22651590 0.75 SLC16A3 (0.56) SLC16A3MEN1KMT2AALDH1A1MAPT
SCHEMBL2844010 0.74 SLC16A3 (0.66) SLC16A3MEN1KMT2AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119792542-A Method for accelerating bio-orthogonal catalysis of acid/reduction sensitive polymer vesicles in situ of tumor 苏州大学 2025-04-11 — — CN disclosed
CN-119386042-A Application of metal boride nano material in preparation of immunosuppressant 苏州大学 2025-02-07 — — CN disclosed
CN-111032660-B Real-time fluorescence imaging sensor for measuring glutathione in organelles and preparation method thereof 塞尔吐温株式会社 2022-09-02 — — CN disclosed
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