SCHEMBL6026686

SCHEMBL6026686

O=C(Nc1ccc(-c2cnc(-c3ccc(NC45CC6CC(CC(C6)C4)C5)cc3)[nH]2)cc1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.48
PTPN2 P17706 1/20 0.48
SCN3A Q9NY46 2/20 0.42
SCN9A Q15858 1/20 0.42
HPGD P15428 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
JAK1 P23458 1/20 0.39
KDM4E B2RXH2 5/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 2/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 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
SCHEMBL6027187 1.00 PTPN1 (0.48) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6027331 0.90 GSK3B (0.39) PTPN1PTPN2SCN3ASCN9ANPC1
SCHEMBL6026607 0.90 GSK3B (0.39) PTPN1PTPN2SCN3ASCN9ANPC1
SCHEMBL14305032 0.87 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6028790 0.87 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6028360 0.87 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL14311202 0.87 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6027147 0.87 SCN3A (0.39) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6887918 0.84 SCN2A (0.45) JAK1
SCHEMBL6887915 0.84 CNR2 (0.46) HPGDNPC1RAB9ASMN1; SMN2KDM4E

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