SCHEMBL9681626

SCHEMBL9681626

COc1ccc2c(c[n+](C)c3c4cc(O)c(O)cc4ccc23)c1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 7/20 0.79
CDC42 P60953 5/20 0.79
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 5/20 0.52
MAPK1 P28482 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 4/20 0.52
BCHE P06276 3/20 0.52
ACHE P22303 3/20 0.52
MEN1 O00255 3/20 0.52
TP53 P04637 3/20 0.52
CYP3A4 P08684 3/20 0.52
ALOX15 P16050 3/20 0.52
ALOX12 P18054 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
HIF1A Q16665 3/20 0.52
NPC1 O15118 2/20 0.52
USP2 O75604 2/20 0.52

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
SCHEMBL9679427 0.93 RAC1 (0.69) RAC1CDC42MAPTALDH1A1HPGD
SCHEMBL9679413 0.93 RAC1 (0.69) RAC1CDC42MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL8709205 0.92 RAC1 (0.70) RAC1CDC42MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL8709312 0.92 RAC1 (0.70) RAC1CDC42MAPTALDH1A1HPGD
SCHEMBL13334193 0.88 RAC1 (1.00) RAC1CDC42MAPTALDH1A1HPGD
SCHEMBL8712325 0.87 RAC1 (0.61) RAC1CDC42MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL3321466 0.87 RAC1 (1.00) RAC1CDC42MAPTALDH1A1HPGD
SCHEMBL13334159 0.84 RAC1 (1.00) RAC1CDC42MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL3320523 0.83 RAC1 (1.00) RAC1CDC42MAPTALDH1A1HPGD
Fagaridine SCHEMBL29369428 0.83 ALDH1A1 (0.77) RAC1CDC42MAPTALDH1A1HPGD

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-0487930-A1 Process for preparing benzo[C]phenanthridinium derivatives, and novel compounds prepared by said process NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-06-03 EP disclosed