SCHEMBL6026099

SCHEMBL6026099

O=C(Nc1ccc(-c2cnc(-c3ccc(Nc4ccc([N+](=O)[O-])cc4)cc3)[nH]2)cc1)C1CCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
PTPN1 P18031 3/20 0.48
PTPN2 P17706 1/20 0.48
HDAC1 Q13547 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
EPHX1 P07099 1/20 0.44
SCN2A Q99250 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN3A Q9NY46 2/20 0.42
SCN9A Q15858 1/20 0.42
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6027227 0.97 NAMPT (0.57) NAMPTPTPN1PTPN2HDAC1KMT2A
SCHEMBL6026103 0.92 HDAC1 (0.52) NAMPTPTPN1PTPN2HDAC1KMT2A
SCHEMBL6028790 0.87 PTPN1 (0.62) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14305032 0.87 PTPN1 (0.62) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6028360 0.87 PTPN1 (0.62) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14311202 0.87 PTPN1 (0.62) PTPN1PTPN2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6026306 0.87 HPGD (0.56) PTPN1PTPN2KMT2AMEN1ALDH1A1
SCHEMBL6026276 0.86 PTPN1 (0.52) PTPN1PTPN2KMT2AMEN1SCN2A
SCHEMBL6026517 0.83 MEN1 (0.52) PTPN1PTPN2KMT2AMEN1SCN2A
SCHEMBL6027440 0.82 PTPN1 (0.48) PTPN1PTPN2KMT2AMEN1ALDH1A1

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