SCHEMBL7297643

SCHEMBL7297643

[O]CCSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 6/20 0.58
POLB P06746 1/20 0.58
IDO1 P14902 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CRBN Q96SW2 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 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
SCHEMBL8746687 0.90 ALDH1A1 (0.64) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL7354205 0.85 MAPT (0.53) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL9570633 0.84 MAPT (0.58) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL8811170 0.82 MAPT (0.58) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL2769872 0.82 MAPT (0.57) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL8683656 0.82 ALDH1A1 (0.57) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL5280249 0.82 MAPT (0.57) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL9395356 0.82 MAPT (0.57) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL5657641 0.82 MAPT (0.57) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL3646086 0.82 MAPT (0.51) MAPTALDH1A1POLBIDO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107628975-B Lysine derivative histone deacetylases inhibitor and its synthesis and application GUIZHOU MEDICAL UNIVERSITY (CN) 2019-10-29 CN claimed
CN-107628975-A Lysine derivative histone deacetylases inhibitor and synthesis and application 贵州医科大学 2018-01-26 CN claimed
CN-107628975-B Lysine derivative histone deacetylases inhibitor and its synthesis and application GUIZHOU MEDICAL UNIVERSITY (CN) 2019-10-29 CN disclosed
CN-107628975-A Lysine derivative histone deacetylases inhibitor and synthesis and application 贵州医科大学 2018-01-26 CN disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed