SCHEMBL27655950

SCHEMBL27655950

CC(=O)Oc1c(N(C)C)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
MCL1 Q07820 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGDR2 Q9Y5Y4 5/20 0.44
TBXA2R P21731 1/20 0.44
PTGDR Q13258 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
GAA P10253 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
DGAT1 O75907 2/20 0.39
DEGS1 O15121 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL27656049 0.99 RAB9A (0.50) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL27634955 0.90 RAB9A (0.52) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL27634898 0.89 RAB9A (0.51) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1651258 0.88 RAB9A (0.52) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL27656050 0.88 NR1H4 (0.44) RAB9ANPC1KMT2AMEN1PTGDR2
SCHEMBL1651004 0.87 TBXA2R (0.48) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1010339 0.86 NR1H4 (0.48) RAB9ANPC1KMT2AMEN1PTGDR2
SCHEMBL1226565 0.85 PTGDR2 (0.56) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL1227036 0.84 PTGDR2 (0.57) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL27634957 0.78 NR1H4 (0.46) RAB9ANPC1KMT2AMEN1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101914065-A Help to treat pyrimidine derivatives by the disease of CRTH2 mediation ACTIMIS PHARMACEUTICALS INC 2010-12-15 CN claimed
CN-1809539-A Pyrimidine derivatives useful in the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2006-07-26 CN claimed
CN-101914065-A Help to treat pyrimidine derivatives by the disease of CRTH2 mediation ACTIMIS PHARMACEUTICALS INC 2010-12-15 CN disclosed
CN-1809539-A Pyrimidine derivatives useful in the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2006-07-26 CN disclosed