SCHEMBL5961322

SCHEMBL5961322

O=C(Nc1ccc(CC2=NC(N3CCC(O)C3)=[C]C(Cl)N2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TNIK Q9UKE5 4/20 0.42
NR1H4 Q96RI1 2/20 0.42
PIN1 Q13526 2/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.40
ABL1 P00519 1/20 0.40
DEGS1 O15121 1/20 0.39
DGAT1 O75907 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
SCHEMBL5961319 0.76 RAB9A (0.47) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5961350 0.75 KMT2A (0.44) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL1226865 0.72 NR1H4 (0.50) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5961325 0.66 KMT2A (0.45) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6016950 0.65 NR1H4 (0.59) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6016969 0.65 RAB9A (0.57) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5961315 0.64 RAB9A (0.58) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5961396 0.64 RAB9A (0.50) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5858101 0.64 KMT2A (0.54) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6017005 0.63 RAB9A (0.57) 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 3 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