SCHEMBL25486356

SCHEMBL25486356

CC(C)CCc1ccc([N+](=O)[O-])s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 8/20 0.53
NR1H3 Q13133 3/20 0.53
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.40

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
SCHEMBL27638840 0.83 NR1D1 (0.43) NR1D1NR1H3KMT2AMEN1MAPT
SCHEMBL10130583 0.82 KMT2A (0.50) NR1D1NR1H3KMT2AMEN1MAPT
SCHEMBL25486315 0.82 NR1D1 (0.42) NR1D1NR1H3KMT2AMEN1MAPT
SCHEMBL11537633 0.77 KMT2A (0.49) NR1D1NR1H3KMT2AMEN1MAPT
SCHEMBL27481963 0.77 MAPT (0.50) NR1D1NR1H3KMT2AMEN1MAPT
SCHEMBL28992931 0.77 KMT2A (0.51) NR1D1NR1H3KMT2AMEN1MAPT
SCHEMBL5182378 0.77 KMT2A (0.51) NR1D1NR1H3KMT2AMEN1MAPT
SCHEMBL8654197 0.76 KMT2A (0.48) NR1D1NR1H3KMT2AMEN1MAPT
SCHEMBL5769414 0.76 KMT2A (0.48) NR1D1NR1H3KMT2AMEN1MAPT
SCHEMBL10160727 0.76 KMT2A (0.54) NR1D1NR1H3KMT2AMEN1MAPT

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-20230151275-A1 COMPOUND, COMPOSITION FOR ANISOTROPIC DYE FILMS INCLUDING THE COMPOUND, ANISOTROPIC DYE FILM, AND OPTICAL ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2023-05-18 US disclosed