SCHEMBL9644131

SCHEMBL9644131

COc1ccc(N=Nc2ccc(O)c3cccc(S(=O)(=O)O)c23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 0.74
▸ RAB9A P51151 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HSP90AA1 P07900 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ POLB P06746 2/20 0.45
▸ SLC7A11 Q9UPY5 2/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ MPL P40238 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.42
▸ GLO1 Q04760 1/20 0.42

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
SCHEMBL26459353 0.85 ATIC (1.00) ATICRAB9AMAPK1ATML3MBTL1
SCHEMBL29159177 0.78 SLC7A11 (0.50) ATICRAB9AMAPTMAPK1HSP90AA1
SCHEMBL27622823 0.77 SLC7A11 (0.62) MAPTL3MBTL1MEN1KMT2APOLB
SCHEMBL25807355 0.76 MAPT (0.67) RAB9AMAPTMAPK1HSP90AA1KDM4E
SCHEMBL24187557 0.75 ATIC (0.81) ATICRAB9AMAPTMAPK1ATM
SCHEMBL21686790 0.75 ATIC (0.64) ATICMAPTMAPK1MEN1KMT2A
SCHEMBL11819863 0.71 ATIC (0.59) ATICMAPTMAPK1L3MBTL1MEN1
SCHEMBL11800642 0.71 SLC7A11 (0.49) ATICRAB9AMAPTMAPK1KDM4E
SCHEMBL28065859 0.71 ATIC (0.57) ATICMAPTL3MBTL1MEN1KMT2A
SCHEMBL15274162 0.71 ATIC (0.72) ATICRAB9AMAPK1ATMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126329-A Diagnosis of kidney disorders NITTO BOSEKI CO., LTD. (JP) 1992-06-30 — — US claimed
US-5126329-A Diagnosis of kidney disorders NITTO BOSEKI CO., LTD. (JP) 1992-06-30 — — US disclosed
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