SCHEMBL6016865

SCHEMBL6016865

CN(C)c1[c]c(N(C)C)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.56
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
DEGS1 O15121 1/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GPR27 Q9NS67 1/20 0.47
PTGDR2 Q9Y5Y4 5/20 0.47
TBXA2R P21731 1/20 0.46
PTGDR Q13258 1/20 0.46
PLAU P00749 3/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
KLKB1 P03952 1/20 0.46
PRSS1 P07477 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6016795 0.94 NR1H4 (0.52) NR1H4KMT2AMEN1DEGS1NPC1
SCHEMBL6016986 0.93 NR1H4 (0.51) NR1H4KMT2AMEN1DEGS1NPC1
SCHEMBL5961347 0.93 NR1H4 (0.51) NR1H4KMT2AMEN1DEGS1NPC1
SCHEMBL5961309 0.90 NPC1 (0.50) NR1H4KMT2AMEN1DEGS1NPC1
SCHEMBL6016948 0.88 NR1H4 (0.52) NR1H4KMT2AMEN1DEGS1NPC1
SCHEMBL5961407 0.86 RAB9A (0.56) NR1H4KMT2AMEN1DEGS1NPC1
SCHEMBL6886843 0.84 KMT2A (0.49) NR1H4KMT2AMEN1DEGS1NPC1
SCHEMBL5961335 0.84 NR1H4 (0.48) NR1H4KMT2AMEN1DEGS1NPC1
SCHEMBL6016950 0.83 NR1H4 (0.59) NR1H4KMT2AMEN1DEGS1NPC1
SCHEMBL6017052 0.83 NPC1 (0.48) NR1H4KMT2AMEN1DEGS1NPC1

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