SCHEMBL6600515

SCHEMBL6600515

O=C1Nc2cc(-c3cc(Cl)cc(Cl)c3)ccc2C1Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.47
MAPT P10636 5/20 0.46
TP53 P04637 4/20 0.46
LMNA P02545 2/20 0.46
GSK3B P49841 2/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.39
ITGAL P20701 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 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
SCHEMBL1322823 0.77 GSK3B (0.52) PGRMAPTTP53LMNAGSK3B
SCHEMBL13358162 0.70 PGR (0.48) PGRMAPTGSK3BKDM4EGAA
SCHEMBL1319928 0.70 PGR (0.48) PGRMAPTGSK3BKDM4EGAA
SCHEMBL7372759 0.69 GSK3B (0.73) PGRMAPTTP53LMNAGSK3B
SCHEMBL28010730 0.69 GSK3B (0.59) MAPTTP53LMNAGSK3BKDM4E
SCHEMBL6744837 0.68 MAPT (0.52) PGRMAPTTP53LMNAPOLB
SCHEMBL6601335 0.68 PGR (0.54) PGRITGAL
SCHEMBL7734085 0.67 HSD17B10 (0.46) MAPTTP53LMNAGSK3BKDM4E
SCHEMBL28010769 0.66 GSK3B (0.59) PGRMAPTGSK3BKDM4EGAA
SCHEMBL4596500 0.65 RXRA (0.50) PGRMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399155-A4 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2004-12-15 EP disclosed
EP-1399155-A2 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-24 EP disclosed
WO-2001006984-A2 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO disclosed