SCHEMBL13284029

SCHEMBL13284029

COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(-c2ccc(N(C)C)cc2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAC1 P63000 3/20 0.51
▸ CDC42 P60953 2/20 0.51
▸ MAPT P10636 4/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ BCHE P06276 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ATP2A1 O14983 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL10132771 0.92 RAC1 (0.42) RAC1CDC42MAPTKMT2AALDH1A1
SCHEMBL13284349 0.86 RAC1 (0.53) RAC1CDC42MAPTKMT2AALDH1A1
SCHEMBL10162982 0.86 RAC1 (0.55) RAC1CDC42MAPTKMT2AALDH1A1
SCHEMBL10132294 0.84 RAC1 (0.38) RAC1CDC42MAPTKMT2AALDH1A1
SCHEMBL10132640 0.79 RAC1 (0.44) RAC1CDC42MAPTKMT2AALDH1A1
SCHEMBL13284346 0.79 RAC1 (0.52) RAC1CDC42MAPTKMT2AALDH1A1
SCHEMBL13284425 0.78 RAC1 (0.47) RAC1CDC42MAPTKMT2AALDH1A1
SCHEMBL10132692 0.78 RAC1 (0.46) RAC1CDC42MAPTKMT2AALDH1A1
SCHEMBL10132806 0.78 RAC1 (0.40) RAC1CDC42MAPTKMT2AALDH1A1
SCHEMBL10163075 0.76 TUBB4A (0.33) MAPTKMT2AMEN1TUBB4ATUBB

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
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 — — WO disclosed
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