SCHEMBL27867642

SCHEMBL27867642

CC=CN(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ PAX8 Q06710 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ HDAC3 O15379 1/20 0.34

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
SCHEMBL7875436 0.83 BRD4 (0.40) MEN1KMT2ANPSR1RAB9ACYP3A4
SCHEMBL22130941 0.79 AKT1 (0.32) L3MBTL1PAX8TDP1ALDH1A1TSHR
SCHEMBL13144272 0.75 KMT2A (0.48) MEN1KMT2ANPSR1CYP3A4CYP2C9
SCHEMBL8736767 0.75 MEN1 (0.43) MEN1KMT2ANPSR1RAB9ACYP3A4
SCHEMBL504005 0.75 L3MBTL1 (0.55) MEN1KMT2ANPSR1RAB9ACYP3A4
SCHEMBL7363893 0.74 KDM4E (0.45) MEN1KMT2ANPSR1RAB9ACYP3A4
SCHEMBL7200107 0.74 RAB9A (0.57) MEN1KMT2ANPSR1RAB9ASMN1; SMN2
SCHEMBL28774233 0.74 NPSR1 (0.39) MEN1KMT2ANPSR1CYP3A4CYP2C9
SCHEMBL2354804 0.73 L3MBTL1 (0.43) MEN1KMT2ANPSR1RAB9ACYP3A4
SCHEMBL8782785 0.73 MEN1 (0.41) MEN1KMT2ANPSR1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102432529-B Preparation method of styryl pyridine disulfide dinitrogen derivative JIANGSU INST NUCLEAR MEDICINE 2014-03-26 — — CN claimed
CN-102432529-A Styryl pyridine disulfide dinitrogen derivative and preparation method thereof JIANGSU INST NUCLEAR MEDICINE 2012-05-02 — — CN claimed
CN-102432529-B Preparation method of styryl pyridine disulfide dinitrogen derivative JIANGSU INST NUCLEAR MEDICINE 2014-03-26 — — CN disclosed
CN-102432529-A Styryl pyridine disulfide dinitrogen derivative and preparation method thereof JIANGSU INST NUCLEAR MEDICINE 2012-05-02 — — CN disclosed
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