SCHEMBL6027057

SCHEMBL6027057

O=C(Nc1cccc(-c2ncc(-c3cccc(NC45CC6CC(CC(C6)C4)C5)c3)[nH]2)c1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
SIRT2 Q8IXJ6 1/20 0.42
ALOX5 P09917 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.40
EPHX2 P34913 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPY5R Q15761 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6027254 0.94 ALDH1A1 (0.47) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6888182 0.94 ALDH1A1 (0.52) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6888848 0.89 ALDH1A1 (0.52) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6887915 0.84 CNR2 (0.46) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL13663138 0.83 SMN1; SMN2 (0.51) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6887918 0.72 SCN2A (0.45) NPY5R
SCHEMBL5621233 0.71 ALDH1A1 (0.53) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6887211 0.70 TP53 (0.52) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6027187 0.69 PTPN1 (0.48) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL6026686 0.69 PTPN1 (0.48) ALDH1A1KDM4ETP53HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613310-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS Avanir Pharmaceuticals (US) 2006-01-11 EP disclosed
WO-2004091610-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS AVANIR PHARMACEUTICALS (US) 2004-10-28 WO disclosed