SCHEMBL5961323

SCHEMBL5961323

COCCN(C)c1[c]c(Cl)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
NR1H4 Q96RI1 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PTGDR2 Q9Y5Y4 7/20 0.43
PLAU P00749 2/20 0.42
DEGS1 O15121 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GPR27 Q9NS67 1/20 0.41
NQO2 P16083 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
SCHEMBL6016983 0.91 NR1H4 (0.47) NPC1RAB9ACASP3SENP7NR1H4
SCHEMBL6886843 0.89 KMT2A (0.49) NPC1RAB9ACASP3SENP7NR1H4
SCHEMBL6016986 0.88 NR1H4 (0.51) NPC1RAB9ACASP3SENP7NR1H4
SCHEMBL5961335 0.88 NR1H4 (0.48) NPC1RAB9ACASP3SENP7NR1H4
SCHEMBL6016894 0.85 KMT2A (0.50) NPC1RAB9ACASP3SENP7NR1H4
SCHEMBL6016950 0.84 NR1H4 (0.59) NPC1RAB9ACASP3SENP7NR1H4
SCHEMBL6016923 0.84 KMT2A (0.44) NPC1RAB9ACASP3SENP7NR1H4
SCHEMBL5961349 0.83 KMT2A (0.46) NPC1RAB9ACASP3SENP7NR1H4
SCHEMBL6016891 0.82 TRPV1 (0.45) NPC1RAB9ACASP3SENP7NR1H4
SCHEMBL6016947 0.81 KMT2A (0.41) NPC1RAB9ACASP3SENP7NR1H4

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