SCHEMBL4692248

SCHEMBL4692248

O=C1C(Cc2ccc(Br)cc2)c2ccccc2N1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.47
ITGAL P20701 11/20 0.43
CES2 O00748 2/20 0.43
ITGB2 P05107 10/20 0.42
ICAM1 P05362 10/20 0.42
LMNA P02545 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL4687956 0.91 ALOX5 (0.50) ALOX5ITGALCES2ITGB2ICAM1
SCHEMBL4690047 0.84 ITGAL (0.40) ALOX5ITGALCES2ITGB2ICAM1
SCHEMBL4692140 0.81 ITGAL (0.38) ALOX5ITGALCES2ITGB2ICAM1
SCHEMBL4687837 0.81 ITGAL (0.40) ALOX5ITGALCES2ITGB2ICAM1
SCHEMBL4689907 0.79 ITGAL (0.36) ALOX5ITGALCES2ITGB2ICAM1
SCHEMBL4693030 0.78 GAA (0.39) ALOX5ITGALCES2ITGB2ICAM1
SCHEMBL9719342 0.77 ALOX5 (0.47) ALOX5LMNA
SCHEMBL4690051 0.75 ALOX5 (0.46) ALOX5ITGALCES2ITGB2ICAM1
SCHEMBL4687618 0.72 ITGB2 (0.41) ALOX5ITGALCES2ITGB2ICAM1
SCHEMBL4599210 0.72 ALDH1A1 (0.48) ALOX5CES2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399155-B1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2008-05-28 EP claimed
EP-1399155-B1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2008-05-28 EP disclosed
EP-1399155-B1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2008-05-28 EP disclosed
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-A3 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2003-12-31 WO disclosed
US-6414153-B1 TREATMENT OF INFLAMMATORY OR IMMUNE CELL-MEDIATED DISEASE OR CONDITION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-02 US disclosed
US-6414153-B1 TREATMENT OF INFLAMMATORY OR IMMUNE CELL-MEDIATED DISEASE OR CONDITION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-02 US disclosed
WO-2001006984-A2 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO disclosed