SCHEMBL29595705

SCHEMBL29595705

COC(=O)c1ccc2[nH]c(C)c(Cc3ccc(S(=O)(=O)N(C)C)cc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ PTGS1 P23219 3/20 0.47
▸ PTGS2 P35354 3/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL19249951 1.00 PTPN5 (0.56) PTPN5ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5131182 0.82 PTPN5 (0.63) PTPN5ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5132934 0.82 PTPN5 (0.63) PTPN5ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL19249956 0.82 PTPN5 (0.57) PTPN5ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5126899 0.81 PTPN5 (0.58) PTPN5ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5882112 0.81 PTPN5 (0.64) PTPN5ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL29595792 0.78 CYP2C9 (0.45) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL19249693 0.78 CYP2C9 (0.45) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL19212524 0.78 PTGS1 (0.39) PTPN5ALDH1A1KDM4EHSD17B10PTGS1
SCHEMBL19212569 0.78 MEN1 (0.40) PTPN5ALDH1A1KDM4EHSD17B10HPGD

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-109153642-B Indole and azaindole halogenated allylamine derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2022-05-17 — — CN disclosed
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