SCHEMBL1010339

SCHEMBL1010339

CC(=O)Oc1c(C)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
PTGDR2 Q9Y5Y4 7/20 0.47
TBXA2R P21731 1/20 0.47
PTGDR Q13258 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
DEGS1 O15121 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ENPP2 Q13822 1/20 0.43
PLAU P00749 2/20 0.42
DGAT1 O75907 1/20 0.42

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
SCHEMBL27656050 0.88 NR1H4 (0.44) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL27656049 0.86 RAB9A (0.50) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL27655950 0.86 RAB9A (0.49) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL27634957 0.85 NR1H4 (0.46) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL27656110 0.84 NR1H4 (0.47) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL1009493 0.83 PTGDR2 (0.64) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL27634955 0.83 RAB9A (0.52) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL1650967 0.81 PTGDR2 (0.71) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL27635182 0.80 PTGDR2 (0.49) NR1H4NPC1RAB9ACASP3SENP7
SCHEMBL27634916 0.79 NR1H4 (0.46) NR1H4NPC1RAB9ACASP3SENP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP disclosed