SCHEMBL29370560

SCHEMBL29370560

O=C1C=Cc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.55
S100A4 P26447 2/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
TDP1 Q9NUW8 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CES1 P23141 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP3 P42574 2/20 0.46
HIF1A Q16665 2/20 0.46
CAPN9 O14815 1/20 0.46
NPC1 O15118 1/20 0.46
STAT3 P40763 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL15442560 1.00 PTPRC (0.55) PTPRCS100A4CA1CA2CA7
SCHEMBL5886292 0.89 PTPRC (0.56) PTPRCS100A4CA1CA2CA7
SCHEMBL7106993 0.85 PTPRC (0.55) PTPRCS100A4CA1CA2CA7
SCHEMBL9158448 0.84 PTPRC (0.64) PTPRCS100A4CA1CA2CA7
SCHEMBL8598895 0.78 PTPRC (0.56) PTPRCS100A4CA1CA2CA7
SCHEMBL9122070 0.77 HIF1A (0.53) PTPRCS100A4CA1CA9TDP1
SCHEMBL8893107 0.75 PTPRC (0.49) PTPRCS100A4CA1CA2CA7
SCHEMBL8427282 0.73 PTPRC (0.50) PTPRCS100A4CA1CA2CA7
SCHEMBL4445375 0.72 CES1 (0.55) PTPRCS100A4CA1CA2CA7
SCHEMBL2772220 0.71 PTPRC (0.83) PTPRCS100A4CA1CA2CA7

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-4188907-A1 ACRYLAMIDE-SUBSTITUTED INDANE COMPOUNDS AND THERAPEUTIC USE THEREOF SANOFI (FR) 2023-06-07 EP disclosed
WO-2022023460-A1 ACRYLAMIDE-SUBSTITUTED INDANE COMPOUNDS AND THERAPEUTIC USE THEREOF SANOFI (FR) 2022-02-03 WO disclosed