SCHEMBL8172936

SCHEMBL8172936

O=C(O)CN1C(=O)SC(=CC=Cc2ccco2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.64
▸ POLB P06746 9/20 0.64
▸ L3MBTL1 Q9Y468 9/20 0.64
▸ USP2 O75604 7/20 0.64
▸ APEX1 P27695 4/20 0.64
▸ NSD2 O96028 3/20 0.64
▸ ALPL P05186 3/20 0.64
▸ MCL1 Q07820 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ ATM Q13315 1/20 0.64
▸ MEN1 O00255 9/20 0.62
▸ KMT2A Q03164 9/20 0.62
▸ KDM4E B2RXH2 6/20 0.62
▸ RECQL P46063 6/20 0.62
▸ ALDH1A1 P00352 5/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ BLM P54132 5/20 0.58

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
SCHEMBL8181654 0.85 KDR (0.69) MAPTPOLBL3MBTL1APEX1MEN1
SCHEMBL8181657 0.85 KDR (0.69) MAPTPOLBL3MBTL1APEX1MEN1
SCHEMBL6886015 0.80 MAPT (0.88) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL6885417 0.78 MAPT (0.81) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL6885414 0.78 MAPT (0.81) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL8181735 0.77 AKR1B1 (0.73) MAPTPOLBL3MBTL1MEN1KMT2A
SCHEMBL26459002 0.77 MAPT (1.00) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL17833967 0.74 MAPT (0.67) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL5991599 0.74 MEN1 (0.75) MAPTPOLBL3MBTL1USP2APEX1
SCHEMBL8183010 0.74 MEN1 (0.76) MAPTL3MBTL1MEN1KMT2ARECQL

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-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — WO disclosed
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