SCHEMBL8003433

SCHEMBL8003433

CN(C)c1ccc2nc3ccccc3cc2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GLA P06280 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
PTBP1 P26599 1/20 0.45
RAB9A P51151 1/20 0.45
RCE1 Q9Y256 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 1/20 0.44
ACHE P22303 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KDM1A O60341 5/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL7991166 0.82 ALDH1A1 (0.46) ALDH1A1GLAHPGDKMT2AKDM4E
Bromide SCHEMBL8000115 0.81 ALDH1A1 (0.45) ALDH1A1GLAHPGDKMT2AKDM4E
Hydrochloric Acid SCHEMBL8519725 0.81 ALDH1A1 (0.45) ALDH1A1GLAHPGDKMT2AKDM4E
SCHEMBL8003446 0.81 KDM1A (0.45) ALDH1A1GLAHPGDKMT2AKDM4E
SCHEMBL9011359 0.80 TRPV1 (0.42) CYP1A2CYP2D6
SCHEMBL2872359 0.80 KDM4E (0.55) ALDH1A1GLAHPGDKMT2AKDM4E
SCHEMBL28241450 0.79 ESR1 (0.53) ALDH1A1GLAHPGDKMT2AKDM4E
Hydrochloric Acid SCHEMBL8003436 0.78 ALDH1A1 (0.53) ALDH1A1GLAHPGDKMT2AKDM4E
Bromide SCHEMBL8003449 0.78 KDM4E (0.53) ALDH1A1GLAHPGDKMT2AKDM4E
SCHEMBL5387138 0.78 ALDH1A1 (0.52) ALDH1A1GLAHPGDKMT2AKDM4E

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
EP-0751951-A4 DIAGNOSIS, THERAPY AND CELLULAR AND ANIMAL MODELS FOR DISEASES ASSOCIATED WITH MITOCHONDRIAL DEFECTS MITOKOR (US) 2000-05-03 EP disclosed
EP-0751951-A1 DIAGNOSIS, THERAPY AND CELLULAR AND ANIMAL MODELS FOR DISEASES ASSOCIATED WITH MITOCHONDRIAL DEFECTS Mitokor (US) 1997-01-08 EP disclosed