SCHEMBL6016869

SCHEMBL6016869

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
EPHX1 P07099 2/20 0.39
POLB P06746 1/20 0.39
EPHX2 P34913 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACVR1 Q04771 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL5961320 0.86 EPHX1 (0.41) GAAEPHX1EPHX2SMN1; SMN2TSHR
SCHEMBL6016878 0.86 GAA (0.39) GAAPOLBEPHX2HDAC1HDAC6
SCHEMBL5961317 0.85 EPHX2 (0.41) GAAEPHX1POLBEPHX2RAB9A
SCHEMBL6017031 0.84 GAA (0.42) GAAEPHX1POLBHDAC1HDAC6
SCHEMBL5961338 0.84 TBXA2R (0.40) POLBHDAC1HDAC6SMN1; SMN2RAB9A
SCHEMBL5961348 0.83 HDAC1 (0.43) GAAEPHX1POLBHDAC1HDAC6
SCHEMBL5961316 0.82 EPHX1 (0.42) EPHX1HPGD
SCHEMBL6016975 0.81 EPHX2 (0.43) GAAEPHX1POLBEPHX2SMN1; SMN2
SCHEMBL6016968 0.81 ACKR3 (0.40) GAAEPHX2SMN1; SMN2HPGDMEN1
SCHEMBL5961329 0.81 RAB9A (0.46) SMN1; SMN2TSHRRAB9ANPC1MEN1

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
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