SCHEMBL5961329

SCHEMBL5961329

CN(CC(=O)NC1CCCC1)c1[c]c(Cl)nc(Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.46
NPC1 O15118 13/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.44
MMP13 P45452 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 5/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
CLK1 P49759 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL5961338 0.87 TBXA2R (0.40) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL6016947 0.86 KMT2A (0.41) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL5961345 0.86 ACKR3 (0.42) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL5961320 0.85 EPHX1 (0.41) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL6016971 0.85 HDAC1 (0.44) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6017031 0.84 GAA (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5961348 0.83 HDAC1 (0.43) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL2004942 0.83 PTGDR2 (0.46) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL5961316 0.82 EPHX1 (0.42)
SCHEMBL6016869 0.81 GAA (0.40) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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 4 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