SCHEMBL6016923

SCHEMBL6016923

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NR1H4 Q96RI1 2/20 0.43
PTGDR2 Q9Y5Y4 9/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
DEGS1 O15121 1/20 0.40
GPR27 Q9NS67 1/20 0.39
KDM4E B2RXH2 1/20 0.39
DGAT1 O75907 1/20 0.39
F10 P00742 1/20 0.38

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
SCHEMBL6016947 0.87 KMT2A (0.41) KMT2AMEN1NR1H4PTGDR2NPC1
SCHEMBL6886843 0.87 KMT2A (0.49) KMT2AMEN1NR1H4PTGDR2NPC1
SCHEMBL5961335 0.87 NR1H4 (0.48) KMT2AMEN1NR1H4PTGDR2NPC1
SCHEMBL5961345 0.87 ACKR3 (0.42) KMT2AMEN1NR1H4PTGDR2NPC1
SCHEMBL6016986 0.86 NR1H4 (0.51) KMT2AMEN1NR1H4PTGDR2NPC1
SCHEMBL6016983 0.85 NR1H4 (0.47) KMT2AMEN1NR1H4PTGDR2NPC1
SCHEMBL5961349 0.85 KMT2A (0.46) KMT2AMEN1NR1H4PTGDR2NPC1
SCHEMBL5961323 0.84 NPC1 (0.47) KMT2AMEN1NR1H4PTGDR2NPC1
SCHEMBL6016894 0.83 KMT2A (0.50) KMT2AMEN1NR1H4PTGDR2NPC1
SCHEMBL6016950 0.82 NR1H4 (0.59) KMT2AMEN1NR1H4PTGDR2NPC1

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 2 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