SCHEMBL28927394

SCHEMBL28927394

CCCCSc1c(/C=C(\C#N)C(=O)OC(C)(C)C)c(=O)oc2cc(N(CC)CC)c([N+](=O)[O-])cc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ABCC3 O15438 1/20 0.31
▸ ABCC4 O15439 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ COMT P21964 1/20 0.31
▸ FTO Q9C0B1 1/20 0.31
▸ GPR35 Q9HC97 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
SCHEMBL30109062 1.00 KDM4E (0.34) KDM4EALDH1A1TDP1MEN1LMNA
SCHEMBL28946503 1.00 KDM4E (0.34) KDM4EALDH1A1TDP1MEN1LMNA
SCHEMBL30827138 0.89 SLC16A3 (0.34) KDM4EALDH1A1TDP1MEN1LMNA
SCHEMBL28927435 0.89 SLC16A3 (0.34) KDM4EALDH1A1TDP1MEN1LMNA
SCHEMBL28946484 0.86 EGFR (0.32) KDM4EALDH1A1TDP1MEN1LMNA
SCHEMBL28946492 0.80 ALDH1A1 (0.35) KDM4EALDH1A1TDP1MEN1LMNA
SCHEMBL28927396 0.80 ALDH3A1 (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL28946495 0.80 MAPT (0.34) KDM4EALDH1A1HPGDCYP2C9
Iodide SCHEMBL28972288 0.77 — —
SCHEMBL28946493 0.77 ALDH3A1 (0.39) KDM4EALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417891-A Synthesis and application of bifunctional fluorescent probe for simultaneously detecting homocysteine and hydrogen peroxide 湖南师范大学 2022-12-02 — — CN claimed
CN-115417891-A Synthesis and application of bifunctional fluorescent probe for simultaneously detecting homocysteine and hydrogen peroxide 湖南师范大学 2022-12-02 — — CN disclosed
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