SCHEMBL12428463

SCHEMBL12428463

CN1CCCc2cc(N3CCCc4cc(C5=C(O)/C(=C6\C(=O)N(c7ccccc7)N=C6C(=O)O)C5=O)ccc43)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CREBBP Q92793 5/20 0.36
SCN9A Q15858 2/20 0.34
ACHE P22303 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
BRD4 O60885 1/20 0.33
MCL1 Q07820 1/20 0.32
KCNH2 Q12809 1/20 0.32
RORC P51449 1/20 0.32
WDR5 P61964 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL12428440 0.81 MEN1 (0.37) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL12428459 0.79 ADRB2 (0.46) MAPTOPRM1OPRD1OPRK1TP53
SCHEMBL13866491 0.79 MEN1 (0.37) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL12428342 0.71 SCN9A (0.49) SCN9AACHE
SCHEMBL12428258 0.71 MAPT (0.36) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL12428446 0.71 MEN1 (0.42) MEN1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL12428447 0.71 MEN1 (0.42) MEN1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL12428259 0.70 SCN9A (0.39) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL12428117 0.70 ALDH1A1 (0.44) MEN1MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL12428169 0.70 ALDH1A1 (0.44) MEN1MAPTKMT2AALDH1A1L3MBTL1

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
US-7977570-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-7977570-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed