SCHEMBL6027440

SCHEMBL6027440

O=C(Nc1ccc(-c2cnc(-c3ccc(Nc4ccc(Cl)c(Cl)c4)cc3)[nH]2)cc1)C1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.48
PTPN2 P17706 1/20 0.48
NR2E3 Q9Y5X4 3/20 0.47
NPY5R Q15761 1/20 0.43
SCN3A Q9NY46 2/20 0.42
SCN9A Q15858 1/20 0.42
GRM4 Q14833 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GSK3B P49841 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL6026276 0.90 PTPN1 (0.52) PTPN1PTPN2NR2E3SCN3ASCN9A
SCHEMBL6027443 0.89 NR2E3 (0.49) PTPN1PTPN2NR2E3KDM4EMEN1
SCHEMBL6028360 0.87 PTPN1 (0.62) PTPN1PTPN2NR2E3SCN3ASCN9A
SCHEMBL14305032 0.87 PTPN1 (0.62) PTPN1PTPN2NR2E3SCN3ASCN9A
SCHEMBL6028790 0.87 PTPN1 (0.62) PTPN1PTPN2NR2E3SCN3ASCN9A
SCHEMBL14311202 0.87 PTPN1 (0.62) PTPN1PTPN2NR2E3SCN3ASCN9A
SCHEMBL6026306 0.87 HPGD (0.56) PTPN1PTPN2NR2E3NPY5RSCN3A
SCHEMBL6026517 0.83 MEN1 (0.52) PTPN1PTPN2MEN1KMT2ANPC1
SCHEMBL6026099 0.82 NAMPT (0.54) PTPN1PTPN2SCN3ASCN9AALDH1A1
SCHEMBL6025801 0.82 PTPN1 (0.50) PTPN1PTPN2NR2E3SCN3ASCN9A

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