SCHEMBL6017005

SCHEMBL6017005

Cc1[c]c(N2CCCC2)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
MCL1 Q07820 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NR1H4 Q96RI1 2/20 0.48
GAA P10253 1/20 0.47
PTGDR2 Q9Y5Y4 7/20 0.46
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
DEGS1 O15121 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL6016969 0.89 RAB9A (0.57) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5961315 0.84 RAB9A (0.58) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6886123 0.81 RAB9A (0.61) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6016795 0.81 NR1H4 (0.52) RAB9ANPC1KMT2AMEN1NR1H4
SCHEMBL5961407 0.81 RAB9A (0.56) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5961396 0.80 RAB9A (0.50) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL1009855 0.79 PTGDR2 (0.58) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL27634955 0.78 RAB9A (0.52) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL12569065 0.77 RAB9A (0.52) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5961319 0.77 RAB9A (0.47) RAB9ANPC1KMT2AMEN1POLB

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
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