SCHEMBL6026920

SCHEMBL6026920

O=C(NC1CCCCCC1)c1ccc(-c2cnc(-c3ccc(NC45CC6CC(CC(C6)C4)C5)cc3)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.47
RIPK1 Q13546 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 2/20 0.39
PTPN1 P18031 1/20 0.39
PTPN11 Q06124 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
IGF1R P08069 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL6026524 1.00 EPHX2 (0.47) EPHX2RIPK1NPC1RAB9AKMT2A
SCHEMBL6883718 0.87 EPHX2 (0.48) EPHX2RIPK1NPC1KMT2AKDM4E
SCHEMBL6027187 0.83 PTPN1 (0.48) NPC1RAB9AKMT2AKDM4EHPGD
SCHEMBL6026686 0.83 PTPN1 (0.48) NPC1RAB9AKMT2AKDM4EHPGD
SCHEMBL6887918 0.82 SCN2A (0.45)
SCHEMBL6879816 0.81 NPC1 (0.47) RIPK1NPC1RAB9AKMT2ACYP1A2
SCHEMBL6026031 0.81 MEN1 (0.52) RIPK1NPC1RAB9AKMT2AKDM4E
SCHEMBL6028629 0.81 PTPN1 (0.50) EPHX2RIPK1NPC1RAB9AKMT2A
SCHEMBL6027061 0.81 PTPN1 (0.50) EPHX2RIPK1NPC1RAB9AKMT2A
SCHEMBL6026827 0.80 RAB9A (0.47) EPHX2NPC1RAB9AKMT2AMEN1

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