SCHEMBL29952591

SCHEMBL29952591

O=Cc1c(C2CC2)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RB1 P06400 1/20 0.45
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
PARP1 P09874 2/20 0.45
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43

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
SCHEMBL29952812 0.94 MAPT (0.52) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL13191146 0.79 CA12 (0.53) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10173087 0.79 CA12 (0.53) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29950813 0.77 ALDH1A1 (0.39) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL8506160 0.77 CA12 (0.51) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL1121664 0.77 MAPT (0.54) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29957067 0.77 SIRT1 (0.45) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29957448 0.77 CYP2D6 (0.42) MAPTLMNAALDH1A1HTT
SCHEMBL29958160 0.77 MAPT (0.54) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29954098 0.74 ERN1 (0.44) MAPTALDH1A1NPSR1CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed