SCHEMBL11749454

SCHEMBL11749454

CN(C)c1ccc(-c2nc(S)oc2-c2cccc(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.44
▸ RXRB P28702 2/20 0.44
▸ RXRG P48443 2/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ ADK P55263 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ NOX1 Q9Y5S8 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36

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
SCHEMBL11750494 0.87 RXRA (0.45) RXRARXRBRXRGNR4A2ADK
SCHEMBL11754011 0.85 APP (0.40) RXRARXRBRXRGADKGPBAR1
SCHEMBL11755414 0.85 APP (0.40) RXRARXRBRXRGADKGPBAR1
SCHEMBL11755155 0.85 RXRA (0.56) RXRARXRBRXRGNR4A2NPC1
SCHEMBL11754925 0.85 RXRA (0.49) RXRARXRBRXRGNR4A2NPC1
SCHEMBL11752319 0.84 NOX1 (0.48) RXRARXRBRXRGNR4A2ADK
SCHEMBL11749619 0.84 NOX1 (0.48) RXRARXRBRXRGNR4A2ADK
SCHEMBL11754470 0.83 MAPK14 (0.41) NR4A2NOX1MAPTNPC1RAB9A
SCHEMBL11751845 0.82 RXRA (0.44) RXRARXRBRXRGNR4A2MAPT
SCHEMBL11745189 0.79 RXRA (0.56) RXRARXRBRXRGNR4A2NPC1

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 2 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 disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 — — US disclosed
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