SCHEMBL6026610

SCHEMBL6026610

CC1CCC(C(=O)Nc2ccc(-c3ncc(-c4ccccc4NC4C5CC6CC(C5)CC4C6)[nH]3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
NR2E3 Q9Y5X4 3/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
ABL1 P00519 3/20 0.34
RXFP1 Q9HBX9 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
GSK3B P49841 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NAMPT P43490 1/20 0.33
TYK2 P29597 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
SCHEMBL6027333 0.93 BRD4 (0.42) BRD4NR2E3MAPTMEN1KMT2A
SCHEMBL6027185 0.91 PTPN1 (0.44) BRD4NR2E3MAPTKMT2APTPN2
SCHEMBL6888532 0.90 MAPT (0.37) BRD4NR2E3MAPTMEN1KMT2A
SCHEMBL6027150 0.87 BRD4 (0.43) BRD4MAPTMEN1KMT2AGAA
SCHEMBL6026685 0.84 PTPN1 (0.44) BRD4NR2E3MAPTKMT2APTPN2
SCHEMBL6887196 0.83 MAPT (0.37) NR2E3MAPTMEN1KMT2AGAA
SCHEMBL6887912 0.82 NPSR1 (0.45) BRD4MEN1KMT2ANPC1RAB9A
SCHEMBL6887943 0.77 RAB9A (0.38) BRD4MAPTMEN1KMT2AGAA
SCHEMBL6029160 0.76 PTPN1 (0.54) PTPN2PTPN1NPC1RAB9AALDH1A1
SCHEMBL6028319 0.76 PTPN1 (0.54) PTPN2PTPN1NPC1RAB9AALDH1A1

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