SCHEMBL10689541

SCHEMBL10689541

O=C1NC(=O)C(Cc2ccc3c(c2)CCCN3Cc2ccccc2)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PPARG P37231 1/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ HTT P42858 1/20 0.45
▸ HKDC1 Q2TB90 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ FFAR1 O14842 2/20 0.44
▸ HDAC1 Q13547 4/20 0.43

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
SCHEMBL10684229 0.90 PPARG (0.46) ALDH1A1NPSR1PPARGHPGDKMT2A
SCHEMBL10687839 0.86 ALDH1A1 (0.52) ALDH1A1NPSR1PPARGHPGDKMT2A
SCHEMBL10684367 0.83 PPARG (0.43) ALDH1A1NPSR1PPARGHPGDKMT2A
SCHEMBL10690377 0.82 PPARG (0.50) ALDH1A1NPSR1PPARGKMT2AMAPT
SCHEMBL10686496 0.82 FFAR1 (0.55) ALDH1A1PPARGHPGDKMT2AMEN1
SCHEMBL10687947 0.81 ALDH1A1 (0.54) ALDH1A1NPSR1PPARGHPGDKMT2A
SCHEMBL10687997 0.79 PPARG (0.48) ALDH1A1NPSR1PPARGMAPTFFAR1
SCHEMBL10688715 0.79 ALDH1A1 (0.46) ALDH1A1HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL13598453 0.77 FFAR1 (0.48) ALDH1A1NPSR1PPARGPOLBMAPT
SCHEMBL31476393 0.76 ADRB3 (0.52) ALDH1A1KMT2AMEN1LMNAL3MBTL1

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
US-4738972-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1988-04-19 — — US disclosed
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