SCHEMBL1010089

SCHEMBL1010089

CC(C(=O)O)c1c(Cl)nc(Cc2ccc(N)cc2)nc1N(C)CC(=O)NC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EPHX1 P07099 1/20 0.36
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 3/20 0.34
HPGD P15428 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
EPHX2 P34913 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1010686 0.88 SMN1; SMN2 (0.39) GAAEPHX1POLBALDH1A1KMT2A
SCHEMBL1011123 0.87 GAA (0.38) GAAHDAC1HDAC6EPHX1POLB
SCHEMBL3443109 0.84 POLB (0.39) GAAHDAC1HDAC6EPHX1POLB
SCHEMBL12568979 0.81 EPHX2 (0.38) GAAHDAC1HDAC6EPHX1POLB
SCHEMBL1011805 0.80 COPS5 (0.36) ALDH1A1KMT2ARAB9AMEN1LMNA
SCHEMBL1009043 0.77 COPS5 (0.40) ALDH1A1KMT2ACYP3A4MEN1LMNA
SCHEMBL6016869 0.77 GAA (0.40) GAAHDAC1HDAC6EPHX1POLB
SCHEMBL8737850 0.76 PTGDR2 (0.43) GAAHDAC1HDAC6EPHX1POLB
SCHEMBL8738226 0.73 PTGDR2 (0.44) GAAPOLBALDH1A1KMT2AHPGD
SCHEMBL1924122 0.72 TBXA2R (0.38) ALDH1A1CYP3A4LMNA

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
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP disclosed