SCHEMBL8181657

SCHEMBL8181657

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.69
▸ SLC2A1 P11166 2/20 0.62
▸ MAPT P10636 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ POLB P06746 3/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ RECQL P46063 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ FFAR1 O14842 1/20 0.61
▸ APEX1 P27695 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ AKR1B1 P15121 6/20 0.60
▸ SLC2A4 P14672 1/20 0.59
▸ CA9 Q16790 1/20 0.57
▸ LMNA P02545 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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 1.00 KDR (0.69) KDRSLC2A1MAPTMEN1KMT2A
SCHEMBL10492212 0.87 POLB (0.75) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL10492218 0.87 POLB (0.75) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL13056337 0.87 POLB (0.75) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL8172936 0.85 MAPT (0.64) KDRMAPTMEN1KMT2APOLB
SCHEMBL13186618 0.85 MEN1 (0.62) KDRSLC2A1MAPTMEN1KMT2A
SCHEMBL29214843 0.83 MAPT (0.72) KDRSLC2A1MAPTMEN1KMT2A
SCHEMBL29214838 0.83 MAPT (0.72) KDRSLC2A1MAPTMEN1KMT2A
SCHEMBL9011343 0.79 AKR1B1 (0.84) MAPTAKR1B1CA9
SCHEMBL9011346 0.79 AKR1B1 (0.84) MAPTAKR1B1CA9

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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