Rotenone

Rotenone

SCHEMBL7142434

C#N.C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.95
MAPT P10636 8/20 0.95
SMN1; SMN2 Q16637 8/20 0.95
ALDH1A1 P00352 5/20 0.95
KDM4E B2RXH2 5/20 0.95
TDP1 Q9NUW8 5/20 0.95
CYP2C19 P33261 4/20 0.95
LMNA P02545 4/20 0.95
MAPK1 P28482 4/20 0.95
TP53 P04637 4/20 0.95
USP2 O75604 4/20 0.95
TSHR P16473 3/20 0.95
MT-ND4 P03905 3/20 0.95
CYP2C9 P11712 2/20 0.95
NPC1 O15118 2/20 0.95
RAB9A P51151 2/20 0.95
CYP1A2 P05177 2/20 0.95
HPGD P15428 2/20 0.95
GMNN O75496 1/20 0.95
ABCB11 O95342 1/20 0.95

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
Rotenone SCHEMBL13845713 0.97 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL19019920 0.97 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL9815546 0.97 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL13926662 0.97 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL42253 0.97 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL29388856 0.97 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL29351552 0.97 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL20152380 0.97 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL5490007 0.96 CYP3A4 (0.98) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E
Rotenone SCHEMBL8386940 0.94 CYP3A4 (0.93) CYP3A4MAPTSMN1; SMN2ALDH1A1KDM4E

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-6525245-B1 Transforming Arabidopsis thaliana with a vector comprising gene encoding reporter protein luciferase operably linked to alternate oxidase promoter; mutating to alter luciferase expression; identifying mutated gene THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2003-02-25 US claimed
WO-2000071668-A2 METHOD FOR IDENTIFYING COMPONENTS INVOLVED IN SIGNAL TRANSDUCTION PATHWAYS IN HIGHER PLANTS THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2000-11-30 WO claimed