SCHEMBL1010965

SCHEMBL1010965

CC(C(=O)O)c1c(Cl)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.55
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PTGDR2 Q9Y5Y4 10/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
DEGS1 O15121 1/20 0.48
DGAT1 O75907 2/20 0.48
KDM4E B2RXH2 1/20 0.47
GPR27 Q9NS67 1/20 0.47

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
SCHEMBL1009772 0.92 NR1H4 (0.48) NR1H4KMT2AMEN1PTGDR2NPC1
SCHEMBL1009893 0.89 RAB9A (0.51) NR1H4KMT2AMEN1PTGDR2NPC1
SCHEMBL1012436 0.82 NR1H4 (0.67) NR1H4KMT2AMEN1PTGDR2NPC1
SCHEMBL12953594 0.81 NR1H4 (0.58) NR1H4KMT2AMEN1PTGDR2NPC1
SCHEMBL1009820 0.80 RAB9A (0.52) NR1H4KMT2AMEN1PTGDR2NPC1
SCHEMBL12568936 0.80 NR1H4 (0.55) NR1H4KMT2AMEN1PTGDR2NPC1
SCHEMBL6016950 0.80 NR1H4 (0.59) NR1H4KMT2AMEN1PTGDR2NPC1
SCHEMBL15749914 0.80 NR1H4 (0.60) NR1H4KMT2AMEN1PTGDR2NPC1
SCHEMBL2007440 0.79 NR1H4 (0.54) NR1H4KMT2AMEN1PTGDR2GPR27
SCHEMBL1651363 0.78 PTGDR2 (0.59) NR1H4KMT2AMEN1PTGDR2NPC1

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
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP disclosed