SCHEMBL6027185

SCHEMBL6027185

O=C(Nc1ccc(-c2ncc(-c3ccccc3NC3C4CC5CC(C4)CC3C5)[nH]2)cc1)C1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
PTPN2 P17706 1/20 0.44
BRD4 O60885 1/20 0.44
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
HPGD P15428 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
NR2E3 Q9Y5X4 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK1 P23458 1/20 0.38
TP53 P04637 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
SCHEMBL6026685 0.93 PTPN1 (0.44) PTPN1PTPN2BRD4KITKDR
SCHEMBL6026610 0.91 BRD4 (0.44) PTPN1PTPN2BRD4KITKDR
SCHEMBL6027150 0.88 BRD4 (0.43) PTPN1PTPN2BRD4HPGDKDM4E
SCHEMBL6027333 0.84 BRD4 (0.42) PTPN1PTPN2BRD4NR2E3ALDH1A1
SCHEMBL6887912 0.83 NPSR1 (0.45) BRD4HPGDKDM4EALDH1A1NPC1
SCHEMBL6883829 0.82 PTPN1 (0.44) PTPN1PTPN2KITKDRFLT3
SCHEMBL6888532 0.81 MAPT (0.37) PTPN1PTPN2BRD4NR2E3ALDH1A1
SCHEMBL6026353 0.80 EPHX2 (0.51) PTPN1PTPN2NR2E3SMN1; SMN2MAPT
SCHEMBL14311202 0.79 PTPN1 (0.62) PTPN1PTPN2KITKDRFLT3
SCHEMBL6028360 0.79 PTPN1 (0.62) PTPN1PTPN2KITKDRFLT3

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