SCHEMBL4686279

SCHEMBL4686279

O=C(O)c1cccnc1Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.76
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
RAB9A P51151 4/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
LMNA P02545 4/20 0.62
NPC1 O15118 3/20 0.62
MAPT P10636 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PKM P14618 2/20 0.58
MAPK1 P28482 1/20 0.58
GMNN O75496 1/20 0.58
TTR P02766 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
NFKB1 P19838 1/20 0.58

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
SCHEMBL4905983 0.88 DHODH (0.72) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15636276 0.87 MEN1 (0.72) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9469395 0.86 DHODH (1.00) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL479877 0.82 DHODH (1.00) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15635771 0.82 DHODH (0.76) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12478330 0.81 DHODH (0.71) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL28534915 0.80 DHODH (0.81) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15636368 0.79 DHODH (0.72) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL11836242 0.79 RAB9A (0.78) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6324644 0.78 DHODH (0.72) DHODHMEN1KMT2ARAB9ASMN1; SMN2

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 5 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 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
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