SCHEMBL9797262

SCHEMBL9797262

CCCCCCCCCCCCCCCCCCN(C)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MGLL Q99685 1/20 0.42
FBP1 P09467 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL9797265 1.00 KCNH2 (0.46) KCNH2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9796852 0.87 KCNH2 (0.46) KCNH2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9796843 0.87 KCNH2 (0.46) KCNH2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9797304 0.77 PTGS2 (0.43) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL9797296 0.77 PTGS2 (0.43) KCNH2MAPTALDH1A1MEN1KMT2A
SCHEMBL9847396 0.77 KCNH2 (0.45) KCNH2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL9797271 0.76 ALDH1A1 (0.47) KCNH2MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL9775560 0.75 MAPT (0.42) KCNH2MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL9775556 0.75 MAPT (0.42) KCNH2MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL9796857 0.73 KCNH2 (0.46) KCNH2MAPTALDH1A1SMN1; SMN2KMT2A

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-4994363-A Silver halide light-sensitive material containing a compound releasing a photographically useful group FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 US disclosed