SCHEMBL6027333

SCHEMBL6027333

CC1CCC(C(=O)Nc2ccc(-c3cnc(-c4ccccc4NC4C5CC6CC(C5)CC4C6)[nH]3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
GSK3B P49841 1/20 0.36
SCN3A Q9NY46 2/20 0.35
SCN9A Q15858 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
ABL1 P00519 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL6026610 0.93 BRD4 (0.44) BRD4GSK3BMAPTMEN1GAA
SCHEMBL6026685 0.91 PTPN1 (0.44) BRD4SCN3ASCN9AMAPTKMT2A
SCHEMBL6887196 0.90 MAPT (0.37) GSK3BSCN3ASCN9AMAPTMEN1
SCHEMBL6027185 0.84 PTPN1 (0.44) BRD4MAPTKMT2APTPN2PTPN1
SCHEMBL6888532 0.83 MAPT (0.37) BRD4GSK3BMAPTMEN1GAA
SCHEMBL6883829 0.81 PTPN1 (0.44) SCN3ASCN9AMAPTKMT2APTPN2
SCHEMBL6027150 0.80 BRD4 (0.43) BRD4SCN3ASCN9AMAPTMEN1
SCHEMBL6026823 0.76 NPC1 (0.45) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL6026919 0.76 EPHX2 (0.47) BRD4MEN1GAAKMT2ANPC1
SCHEMBL6029160 0.76 PTPN1 (0.54) GSK3BSCN3ASCN9APTPN2PTPN1

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