SCHEMBL11042401

SCHEMBL11042401

O=C(O)C(O)Sc1nc(-c2ccccc2)c(-c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.46
▸ PPARD Q03181 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ XIAP P98170 3/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL11041567 0.87 PPARD (0.43) PTGS2PPARDPPARGPPARAALDH1A1
SCHEMBL11040129 0.86 PPARA (0.58) PTGS2PPARDPPARGPPARAALDH1A1
SCHEMBL11301950 0.82 ALDH1A1 (0.47) PTGS2PPARDPPARGPPARAALDH1A1
SCHEMBL11042391 0.75 PTGS2 (0.54) PTGS2PPARDPPARGPPARAALDH1A1
SCHEMBL11042394 0.74 PTGS2 (0.49) PTGS2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL11352115 0.73 POLB (0.55) PPARAALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL11045896 0.73 ALDH1A1 (0.55) PTGS2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL11752429 0.72 SLC22A12 (0.52) PTGS2PPARAALDH1A1MAPTCYP1A2
SCHEMBL11750819 0.72 GAA (0.52) PTGS2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL11747669 0.72 PPARA (0.56) PTGS2PPARDPPARGPPARAKDM4E

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-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 — — US disclosed
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