SCHEMBL1435482

SCHEMBL1435482

O=[N+]([O-])c1ccccc1C=CC=NNc1nccs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
MAPT P10636 7/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 4/20 0.55
RAB9A P51151 7/20 0.55
KMT2A Q03164 6/20 0.55
NPC1 O15118 6/20 0.55
MEN1 O00255 5/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 2/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL1436420 0.80 MAPT (0.56) ALDH1A1MAPTPKMSMN1; SMN2GAA
SCHEMBL1435596 0.77 ALDH1A1 (0.61) ALDH1A1MAPTPKMSMN1; SMN2GAA
SCHEMBL1435643 0.77 ALDH1A1 (0.61) ALDH1A1MAPTPKMSMN1; SMN2GAA
SCHEMBL1435601 0.75 ALDH1A1 (0.55) ALDH1A1MAPTPKMSMN1; SMN2GAA
SCHEMBL5440780 0.70 SOS1 (0.71) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL5440784 0.70 SOS1 (0.71) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL4726328 0.70 RAB9A (0.60) ALDH1A1MAPTPKMSMN1; SMN2GAA
SCHEMBL4094184 0.69 ALDH1A1 (0.71) ALDH1A1MAPTPKMSMN1; SMN2GAA
SCHEMBL4094186 0.69 ALDH1A1 (0.71) ALDH1A1MAPTPKMSMN1; SMN2GAA
SCHEMBL4094181 0.69 ALDH1A1 (0.71) ALDH1A1MAPTPKMSMN1; SMN2GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP claimed
EP-1898908-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT Trophos (FR) 2008-03-19 EP claimed
WO-2007003767-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS (FR) 2007-01-11 WO claimed
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP disclosed
EP-1898908-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT Trophos (FR) 2008-03-19 EP disclosed
WO-2007003767-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS (FR) 2007-01-11 WO disclosed