SCHEMBL11753407

SCHEMBL11753407

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 5/20 0.39
▸ MAPK14 Q16539 3/20 0.36
▸ MAPK13 O15264 2/20 0.36
▸ MAPK12 P53778 2/20 0.36
▸ MAPK11 Q15759 2/20 0.36
▸ GCGR P47871 1/20 0.36
▸ RXRA P19793 4/20 0.36
▸ RXRB P28702 4/20 0.36
▸ RXRG P48443 4/20 0.36
▸ CNR1 P21554 2/20 0.34
▸ PTGS2 P35354 5/20 0.33
▸ NR4A1 P22736 2/20 0.33
▸ NR4A3 Q92570 2/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ APP P05067 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ABCC4 O15439 1/20 0.32

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
SCHEMBL11754514 0.93 NR4A2 (0.50) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL11753895 0.93 NR4A2 (0.50) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL11752390 0.84 RXRA (0.48) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL11752484 0.81 RXRA (0.46) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL11753348 0.81 NR4A2 (0.47) NR4A2RXRARXRBRXRGPTGS2
SCHEMBL11753577 0.81 MEN1 (0.40) NR4A2RXRARXRBRXRGCNR1
SCHEMBL11751989 0.81 MAPK14 (0.50) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL6025571 0.80 NR4A2 (0.60) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL11750796 0.78 NOTUM (0.39) NR4A2MAPK14MAPK13MAPK12MAPK11
SCHEMBL11754360 0.78 RXRA (0.57) NR4A2MAPK14MAPK13MAPK12MAPK11

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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