SCHEMBL14391015

SCHEMBL14391015

Nc1c(-c2ccco2)cc(-c2ccc(Cl)s2)nc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.38
▸ KMT2A Q03164 7/20 0.38
▸ GAA P10253 6/20 0.38
▸ POLB P06746 3/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ MAPT P10636 6/20 0.38
▸ RXRA P19793 2/20 0.38
▸ RXRB P28702 2/20 0.38
▸ RXRG P48443 1/20 0.38
▸ LIMK1 P53667 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL14390863 0.90 PTGS1 (0.42) MEN1KMT2AGAAPOLBPTGS1
SCHEMBL14390694 0.90 IKBKB (0.39) MEN1KMT2AGAAPOLBPTGS1
SCHEMBL3590027 0.87 KDM4E (0.49) MEN1KMT2AGAAPOLBMAPK1
SCHEMBL14391012 0.82 CHEK2 (0.41) MEN1KMT2AGAAPOLBPTGS1
SCHEMBL14391020 0.82 IKBKB (0.45) MEN1KMT2AGAAPOLBPTGS1
SCHEMBL14391019 0.81 PTGS1 (0.39) MEN1KMT2AGAAPOLBPTGS1
SCHEMBL14390899 0.81 ADORA2A (0.46) MEN1KMT2AGAAPOLBPTGS1
SCHEMBL3594349 0.78 KDM4E (0.49) MEN1KMT2AGAAPOLBPTGS1
SCHEMBL3582497 0.77 KDM4E (0.54) MEN1KMT2AGAAPOLBMAPK1
SCHEMBL3592534 0.74 POLB (0.43) MEN1KMT2AGAAPOLBMAPK1

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
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO disclosed
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