SCHEMBL1009893

SCHEMBL1009893

CC(C(=O)O)c1c(Cl)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc1N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
MCL1 Q07820 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR1H4 Q96RI1 1/20 0.46
PTGDR2 Q9Y5Y4 9/20 0.44
DGAT1 O75907 2/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1009820 0.91 RAB9A (0.52) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL1010965 0.89 NR1H4 (0.55) RAB9AKMT2ANPC1MEN1NR1H4
SCHEMBL1010058 0.84 NR1H4 (0.55) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL1226743 0.83 NR1H4 (0.54) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL1009772 0.83 NR1H4 (0.48) RAB9AKMT2ANPC1MEN1NR1H4
SCHEMBL1651258 0.83 RAB9A (0.52) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL27634898 0.82 RAB9A (0.51) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL12568937 0.82 RAB9A (0.51) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL1010832 0.82 RAB9A (0.51) RAB9AKMT2ANPC1MEN1POLB
SCHEMBL1009855 0.79 PTGDR2 (0.58) RAB9AKMT2ANPC1MEN1POLB

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