SCHEMBL11755155

SCHEMBL11755155

Sc1nc(-c2ccccc2)c(-c2cccc(Cl)c2)o1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 8/20 0.56
▸ RXRB P28702 8/20 0.56
▸ RXRG P48443 8/20 0.56
▸ NR4A2 P43354 3/20 0.56
▸ NPC1 O15118 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ADORA1 P30542 4/20 0.47
▸ ADORA2A P29274 3/20 0.47
▸ ADORA2B P29275 1/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ PIM1 P11309 1/20 0.40

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
SCHEMBL11745189 0.94 RXRA (0.56) RXRARXRBRXRGNR4A2NPC1
SCHEMBL11754925 0.94 RXRA (0.49) RXRARXRBRXRGNR4A2NPC1
SCHEMBL11751845 0.85 RXRA (0.44) RXRARXRBRXRGNR4A2NPC1
SCHEMBL11749454 0.85 RXRA (0.44) RXRARXRBRXRGNR4A2NPC1
SCHEMBL11752538 0.84 RXRA (0.55) RXRARXRBRXRGNR4A2TSHR
SCHEMBL11752605 0.84 RXRA (0.59) RXRARXRBRXRGNR4A2NPC1
SCHEMBL11752832 0.84 RXRA (0.55) RXRARXRBRXRGNR4A2TSHR
SCHEMBL2744315 0.83 NR4A2 (0.60) RXRARXRBRXRGNR4A2NPC1
SCHEMBL11752044 0.81 NPC1 (0.49) RXRARXRBRXRGNR4A2NPC1
SCHEMBL11754193 0.81 RXRA (0.45) RXRARXRBRXRGNR4A2SMN1; SMN2

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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