SCHEMBL11754514

SCHEMBL11754514

Clc1nc(-c2ccccc2)c(-c2ccc(I)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 9/20 0.50
▸ RXRA P19793 9/20 0.45
▸ RXRB P28702 9/20 0.45
▸ RXRG P48443 7/20 0.45
▸ MAPK13 O15264 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ NR4A1 P22736 3/20 0.43
▸ NR4A3 Q92570 3/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ C5 P01031 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL11753895 1.00 NR4A2 (0.50) NR4A2RXRARXRBRXRGMAPK13
SCHEMBL11753407 0.93 NR4A2 (0.39) NR4A2RXRARXRBRXRGMAPK13
SCHEMBL6025571 0.89 NR4A2 (0.60) NR4A2RXRARXRBRXRGMAPK13
SCHEMBL11745479 0.86 RXRA (0.57) NR4A2RXRARXRBRXRGMAPK13
SCHEMBL11754360 0.86 RXRA (0.57) NR4A2RXRARXRBRXRGMAPK13
SCHEMBL11748931 0.83 MEN1 (0.51) NR4A2RXRARXRBRXRGMAPK13
SCHEMBL11747680 0.83 RXRA (0.55) NR4A2RXRARXRBRXRGMAPK13
SCHEMBL11755117 0.83 NR4A2 (0.50) NR4A2RXRARXRBRXRGMAPK13
SCHEMBL11752112 0.83 RXRA (0.55) NR4A2RXRARXRBRXRGMAPK13
SCHEMBL11752077 0.83 MEN1 (0.51) NR4A2RXRARXRBRXRGMAPK13

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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