SCHEMBL5961319

SCHEMBL5961319

O=C(Nc1ccc(Cc2nc(Cl)[c]c(N3CCC(O)C3)n2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MCL1 Q07820 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
TNIK Q9UKE5 4/20 0.43
PIN1 Q13526 2/20 0.43
DEGS1 O15121 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GPR27 Q9NS67 1/20 0.40

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 0.88 RAB9A (0.57) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5961396 0.87 RAB9A (0.50) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6886123 0.85 RAB9A (0.61) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6016950 0.83 NR1H4 (0.59) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL1226865 0.81 NR1H4 (0.50) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6017005 0.77 RAB9A (0.57) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5961322 0.76 RAB9A (0.45) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6016986 0.76 NR1H4 (0.51) RAB9ANPC1KMT2AMEN1NR1H4
SCHEMBL6016891 0.76 TRPV1 (0.45) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL6016894 0.74 KMT2A (0.50) RAB9ANPC1KMT2AMEN1NR1H4

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 6 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-1471057-A1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 Bayer HealthCare AG (DE) 2004-10-27 EP 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