SCHEMBL11041561

SCHEMBL11041561

O=C(O)C(S)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 15/20 0.45
▸ PTGDR Q13258 1/20 0.45
▸ PTGS2 P35354 3/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PPARD Q03181 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
SCHEMBL11042394 0.86 PTGS2 (0.49) PTGDR2PTGS2PTGS1KDM4ESMN1; SMN2
SCHEMBL11753660 0.85 MAPT (0.50) PTGS2PTGS1KDM4EPOLBRAB9A
SCHEMBL10801295 0.83 ALDH1A1 (0.54) PTGDR2PTGS2PTGS1KDM4EALDH1A1
SCHEMBL11754171 0.82 MAPT (0.47) PTGDR2PTGS2PTGS1KDM4ERAB9A
SCHEMBL11748152 0.82 MAPT (0.47) PTGDR2PTGS2PTGS1KDM4ERAB9A
SCHEMBL11041567 0.76 PPARD (0.43) PTGDR2PTGS2PTGS1KDM4ENPC1
SCHEMBL5909542 0.75 KDM4E (0.49) PTGDR2PTGS2PTGS1KDM4ENPC1
SCHEMBL11747669 0.75 PPARA (0.56) PTGDR2PTGS2PTGS1KDM4ENPC1
SCHEMBL11750815 0.75 ALDH1A1 (0.50) PTGDR2PTGS2PTGS1KDM4ESMN1; SMN2
SCHEMBL11751365 0.73 L3MBTL1 (0.49) PTGDR2KDM4EALDH1A1HPGDPPARD

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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