SCHEMBL19212524

SCHEMBL19212524

COC(=O)c1ccc2[nH]c(C)c(Cc3ccc(S(=O)(=O)N(C)C)cc3)c2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ PTPN5 P54829 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ AR P10275 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 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
SCHEMBL19249951 0.78 PTPN5 (0.56) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL29595705 0.78 PTPN5 (0.56) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL29595303 0.69 MAPT (0.52) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL19249695 0.69 MAPT (0.52) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL19212553 0.69 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL19249403 0.68 PTGS1 (0.38) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL19249657 0.68 PTGS1 (0.45) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL19249472 0.67 PTGS1 (0.45) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL19212556 0.66 PTGS2 (0.46) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL19249384 0.64 PTGS2 (0.48) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414226-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF Pharmaxis Ltd. (AU) 2018-12-19 — — EP disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 — — WO disclosed
WO-2017136871-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 — — WO disclosed
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