SCHEMBL4690047

SCHEMBL4690047

O=C1C(Cc2ccc(Br)cc2)c2cc(F)ccc2N1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 12/20 0.40
ITGB2 P05107 11/20 0.40
ICAM1 P05362 11/20 0.40
PARK7 Q99497 2/20 0.36
CES2 O00748 1/20 0.36
MDM2 Q00987 2/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL4692248 0.84 ALOX5 (0.47) ITGALITGB2ICAM1CES2ALOX5
SCHEMBL4692140 0.76 ITGAL (0.38) ITGALITGB2ICAM1CES2ALOX5
SCHEMBL4693030 0.75 GAA (0.39) ITGALITGB2ICAM1CES2ALOX5
SCHEMBL4687956 0.75 ALOX5 (0.50) ITGALITGB2ICAM1CES2ALOX5
SCHEMBL4689907 0.73 ITGAL (0.36) ITGALITGB2ICAM1CES2ALOX5
SCHEMBL4687837 0.73 ITGAL (0.40) ITGALITGB2ICAM1CES2ALOX5
SCHEMBL4690051 0.72 ALOX5 (0.46) ITGALITGB2ICAM1PARK7CES2
SCHEMBL22898546 0.69 RAB9A (0.58) ITGALITGB2ICAM1
SCHEMBL4689811 0.65 ALOX5 (0.46) ITGALITGB2ICAM1ALOX5
SCHEMBL12678468 0.63 ALOX5 (0.38) ALOX5

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 13 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-A4 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2004-12-15 EP claimed
EP-1399155-A2 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-24 EP claimed
US-6414153-B1 TREATMENT OF INFLAMMATORY OR IMMUNE CELL-MEDIATED DISEASE OR CONDITION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-02 US claimed
WO-2001006984-A2 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-01 WO 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