SCHEMBL5064909

SCHEMBL5064909

CC(C)Cc1ccc(COc2ccc(Cl)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 7/20 0.46
MCL1 Q07820 1/20 0.46
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
RAF1 P04049 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
VCAM1 P19320 2/20 0.42
MAOB P27338 5/20 0.41
MAOA P21397 2/20 0.41
BMP1 P13497 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
SCHEMBL811395 0.85 MAOB (0.50) BCL2MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL810695 0.85 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1LMNARAF1
SCHEMBL2964633 0.85 MAOB (0.52) BCL2MAPTSMN1; SMN2LMNAMAOB
SCHEMBL810159 0.83 MAOB (0.50) MAPTSMN1; SMN2ALDH1A1LMNAMAOB
SCHEMBL810233 0.83 SIRT2 (0.50) MAPTSMN1; SMN2MAOBMAOA
SCHEMBL810842 0.82 MEN1 (0.53) MAPTSMN1; SMN2VCAM1MAOBMAOA
SCHEMBL29463873 0.82 MEN1 (0.53) MAPTSMN1; SMN2VCAM1MAOBMAOA
SCHEMBL811221 0.82 APP (0.49) BCL2MCL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL810308 0.80 VCAM1 (0.61) MAPTSMN1; SMN2VCAM1MAOBMAOA
SCHEMBL810929 0.77 MAOB (0.56) MAPTLMNAMAOBMAOA

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-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed