SCHEMBL30827138

SCHEMBL30827138

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 2/20 0.34
▸ SLC16A1 P53985 2/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ABCC3 O15438 1/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ COMT P21964 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL28927435 1.00 SLC16A3 (0.34) SLC16A3SLC16A1HCAR3MEN1KMT2A
SCHEMBL28946484 0.90 EGFR (0.32) HCAR3MEN1KMT2ALMNATP53
SCHEMBL28946503 0.89 KDM4E (0.34) MEN1KMT2ALMNATP53HSP90AA1
SCHEMBL30109062 0.89 KDM4E (0.34) MEN1KMT2ALMNATP53HSP90AA1
SCHEMBL28927394 0.89 KDM4E (0.34) MEN1KMT2ALMNATP53HSP90AA1
SCHEMBL28946492 0.85 ALDH1A1 (0.35) HCAR3MEN1KMT2ALMNATP53
SCHEMBL28927396 0.84 ALDH3A1 (0.41) HCAR3MEN1KMT2AHPGDALDH1A1
SCHEMBL28946495 0.82 MAPT (0.34) HCAR3HPGDCYP2C9ALDH1A1KDM4E
Iodide SCHEMBL28972288 0.81 — —
SCHEMBL28946493 0.80 ALDH3A1 (0.39) HCAR3MEN1KMT2AHPGDALDH1A1

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
CN-115490664-B Synthesis and application of fluorescent probe for selectively detecting homocysteine 湖南师范大学 2024-02-13 — — CN disclosed
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