Chelerythrine

Chelerythrine

SCHEMBL3973425

CCCC.COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.91
MAPT P10636 7/20 0.91
SMN1; SMN2 Q16637 7/20 0.91
HPGD P15428 5/20 0.91
MAPK1 P28482 5/20 0.91
KMT2A Q03164 5/20 0.91
BCHE P06276 5/20 0.91
ACHE P22303 5/20 0.91
CYP3A4 P08684 5/20 0.91
MEN1 O00255 4/20 0.91
CYP2D6 P10635 4/20 0.91
TSHR P16473 4/20 0.91
CYP1A2 P05177 4/20 0.91
TP53 P04637 3/20 0.91
ALOX15 P16050 3/20 0.91
ALOX12 P18054 3/20 0.91
HSD17B10 Q99714 3/20 0.91
TDP1 Q9NUW8 3/20 0.91
HIF1A Q16665 3/20 0.91
NPC1 O15118 2/20 0.91

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
Chelerythrine SCHEMBL30527168 0.96 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
Chelerythrine SCHEMBL29357531 0.96 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
Chelerythrine SCHEMBL30527167 0.96 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
Chelerythrine SCHEMBL288915 0.96 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
Chelerythrine SCHEMBL3319851 0.94 ALDH1A1 (0.98) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
Chelerythrine SCHEMBL30207103 0.94 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
Chelerythrine SCHEMBL4980861 0.94 ALDH1A1 (0.98) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
Chelerythrine SCHEMBL4016265 0.94 ALDH1A1 (0.98) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
Chelerythrine SCHEMBL195109 0.94 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1
Chelerythrine SCHEMBL288916 0.94 ALDH1A1 (0.98) ALDH1A1MAPTSMN1; SMN2HPGDMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057149-B1 PSEUDOBASE BENZO [C]PHENANTHRIDINES WITH IMPROVED EFFICACY, STABILITY, AND SAFETY UNIV YALE (US) 2014-10-29 EP disclosed
EP-2057149-A2 PSEUDOBASE BENZO [C]PHENANTHRIDINES WITH IMPROVED EFFICACY, STABILITY, AND SAFETY Marinus Pharmaceuticals, Inc. (US) 2009-05-13 EP disclosed
WO-2008016596-A2 PSEUDOBASE BENZO [C] PHENANTHRIDINES WITH IMPROVED EFFICACY, STABILITY, AND SAFETY MARINUS PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed