SCHEMBL6026919

SCHEMBL6026919

O=C(NC1CCCCCC1)c1ccc(-c2cnc(-c3ccccc3NC3C4CC5CC(C4)CC3C5)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
BRD4 O60885 1/20 0.42
RIPK1 Q13546 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPKAPK2 P49137 2/20 0.39
GRM5 P41594 1/20 0.38
HSD11B1 P28845 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
TTK P33981 1/20 0.38
GAA P10253 1/20 0.38
DYRK1B Q9Y463 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
SCHEMBL6886857 0.88 EPHX2 (0.43) EPHX2RIPK1ALDH1A1HPGDTSHR
SCHEMBL6026685 0.82 PTPN1 (0.44) BRD4ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL6026823 0.82 NPC1 (0.45) BRD4SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6027333 0.76 BRD4 (0.42) BRD4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6027185 0.75 PTPN1 (0.44) BRD4ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL6879816 0.74 NPC1 (0.47) RIPK1HPGDSMN1; SMN2KMT2AMAPKAPK2
SCHEMBL6026031 0.74 MEN1 (0.52) RIPK1SMN1; SMN2MEN1KMT2AGRM5
SCHEMBL6026353 0.73 EPHX2 (0.51) EPHX2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6026524 0.73 EPHX2 (0.47) EPHX2RIPK1HPGDSMN1; SMN2MEN1
SCHEMBL6026920 0.73 EPHX2 (0.47) EPHX2RIPK1HPGDSMN1; SMN2MEN1

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