SCHEMBL9797296

SCHEMBL9797296

CCCCCCCCCCCCCCCCCCN(C)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)COc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
LSS P48449 2/20 0.41
MGLL Q99685 1/20 0.41
MAOB P27338 2/20 0.39
KCNH2 Q12809 2/20 0.39
KMT2A Q03164 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
AOC3 Q16853 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9797304 1.00 PTGS2 (0.43) PTGS2LSSMGLLMAOBKCNH2
SCHEMBL9796779 0.85 MAPT (0.51) PTGS2MGLLKMT2ALMNAALDH1A1
SCHEMBL9796784 0.85 MAPT (0.51) PTGS2MGLLKMT2ALMNAALDH1A1
SCHEMBL9797112 0.84 MEN1 (0.43) PTGS2MGLLKMT2ALMNAALDH1A1
SCHEMBL9797117 0.84 MEN1 (0.43) PTGS2MGLLKMT2ALMNAALDH1A1
SCHEMBL9796843 0.81 KCNH2 (0.46) MGLLKCNH2KMT2ABCHEACHE
SCHEMBL9796852 0.81 KCNH2 (0.46) MGLLKCNH2KMT2ABCHEACHE
SCHEMBL9797310 0.79 LSS (0.46) PTGS2LSSMGLLMAOBKCNH2
SCHEMBL9797262 0.77 KCNH2 (0.46) MGLLKCNH2KMT2AALDH1A1MEN1
SCHEMBL9797265 0.77 KCNH2 (0.46) MGLLKCNH2KMT2AALDH1A1MEN1

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