SCHEMBL2488554

SCHEMBL2488554

COCCOCCON1C(=O)C(C)(C)c2cc(NC(=O)CCc3ccccc3)c([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
RAB9A P51151 4/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2488205 0.89 MAPT (0.53) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2490128 0.82 MAPT (0.61) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2490357 0.78 MAPT (0.56) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2490934 0.78 MAPT (0.56) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2489392 0.76 MAPT (0.54) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2486765 0.76 MAPT (0.56) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2486759 0.76 MAPT (0.56) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2491071 0.73 MAPT (0.52) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL10696897 0.73 L3MBTL1 (0.51) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2492671 0.70 MAPT (0.46) MAPTRAB9AGAAALDH1A1LMNA

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
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed