SCHEMBL5264594

SCHEMBL5264594

O=C(O)C(=O)Cc1ncccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PDE10A Q9Y233 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 4/20 0.44
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CTSB P07858 2/20 0.42
CYP1A2 P05177 2/20 0.42
HSP90AA1 P07900 2/20 0.42
GAA P10253 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42

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
SCHEMBL5264598 1.00 MAPT (0.47) MAPTRAB9ANPC1PDE10ASMN1; SMN2
SCHEMBL6648261 0.89 MAPT (0.48) MAPTRAB9ANPC1PDE10ASMN1; SMN2
SCHEMBL6648266 0.89 MAPT (0.48) MAPTRAB9ANPC1PDE10ASMN1; SMN2
SCHEMBL7814152 0.84 MEN1 (0.48) MAPTRAB9ANPC1PDE10ASMN1; SMN2
SCHEMBL7814155 0.84 PDE10A (0.46) MAPTRAB9ANPC1PDE10ASMN1; SMN2
SCHEMBL27637865 0.82 FFAR1 (0.45) MAPTRAB9ANPC1PDE10ASMN1; SMN2
SCHEMBL31213729 0.82 ALDH1A1 (0.53) MAPTRAB9ANPC1PDE10ASMN1; SMN2
SCHEMBL15709862 0.80 LMNA (0.61) MAPTRAB9ANPC1PDE10ASMN1; SMN2
SCHEMBL2107427 0.80 MAPT (0.51) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3769047 0.80 PDE10A (0.51) MAPTRAB9ANPC1PDE10ASMN1; SMN2

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-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 WO disclosed