SCHEMBL6017052

SCHEMBL6017052

CN(C)c1[c]c(Cl)nc(Cc2cccc(NC(=O)c3ccc4ccccc4c3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PARP1 P09874 1/20 0.47
NR1H4 Q96RI1 4/20 0.46
PPARD Q03181 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPR27 Q9NS67 1/20 0.42
CYP19A1 P11511 1/20 0.42
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL6016986 0.90 NR1H4 (0.51) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL6016865 0.83 NR1H4 (0.56) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL6886843 0.82 KMT2A (0.49) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL5961335 0.82 NR1H4 (0.48) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL6016894 0.81 KMT2A (0.50) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL6016983 0.81 NR1H4 (0.47) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL6016795 0.80 NR1H4 (0.52) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL6016950 0.80 NR1H4 (0.59) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL5961323 0.79 NPC1 (0.47) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL5961347 0.79 NR1H4 (0.51) NPC1RAB9AMEN1KMT2ANR1H4

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-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP disclosed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed
EP-1471057-A1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 Bayer HealthCare AG (DE) 2004-10-27 EP disclosed