SCHEMBL11042391

SCHEMBL11042391

O=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
HRH3 Q9Y5N1 1/20 0.52
POLB P06746 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 2/20 0.45
FFAR1 O14842 2/20 0.45
LMNA P02545 1/20 0.45
PPARD Q03181 2/20 0.44
APEX1 P27695 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 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
SCHEMBL11753338 0.93 PTGS2 (0.48) PTGS2HRH3POLBMEN1KMT2A
SCHEMBL11751179 0.93 PTGS2 (0.48) PTGS2HRH3POLBMEN1KMT2A
SCHEMBL11747420 0.92 PTGDR2 (0.50) PTGS2HRH3POLBMEN1KMT2A
SCHEMBL11753193 0.92 PTGDR2 (0.50) PTGS2HRH3POLBMEN1KMT2A
SCHEMBL11750109 0.92 XIAP (0.49) PTGS2HRH3POLBMEN1KMT2A
SCHEMBL11754162 0.92 XIAP (0.49) PTGS2HRH3POLBMEN1KMT2A
SCHEMBL11752397 0.92 ALDH1A1 (0.56) PTGS2HRH3POLBMEN1KMT2A
SCHEMBL11750660 0.92 PTGDR2 (0.50) PTGS2HRH3POLBMEN1KMT2A
SCHEMBL11749416 0.92 PTGDR2 (0.50) PTGS2HRH3POLBMEN1KMT2A
SCHEMBL11754181 0.92 ALDH1A1 (0.56) PTGS2HRH3POLBMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US claimed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US claimed
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
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US disclosed