SCHEMBL5961325

SCHEMBL5961325

CN(CC(=O)N1CCCC1)C1[C]=CN=C(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H4 Q96RI1 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
DEGS1 O15121 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PARP1 P09874 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
SCHEMBL5961350 0.81 KMT2A (0.44) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL5961324 0.75 KMT2A (0.47) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL5961349 0.74 KMT2A (0.46) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL1226454 0.71 PTGDR2 (0.50) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL1228166 0.70 PTGDR2 (0.49) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL6016865 0.66 NR1H4 (0.56) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL6017005 0.66 RAB9A (0.57) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL5961322 0.66 RAB9A (0.45) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL5961315 0.65 RAB9A (0.58) KMT2ARAB9ANPC1MEN1POLB
SCHEMBL6016969 0.65 RAB9A (0.57) KMT2ARAB9ANPC1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006524645-A 2006-11-02 JP claimed
EP-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP claimed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO claimed
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