SCHEMBL6593133

SCHEMBL6593133

Nc1ccc2nc3ccccc3c(Oc3ccccc3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.76
KDM4E B2RXH2 3/20 0.71
GLA P06280 3/20 0.71
MAPT P10636 3/20 0.71
KMT2A Q03164 3/20 0.71
CHEK2 O96017 1/20 0.46
POLB P06746 2/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAOA P21397 2/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
NQO2 P16083 1/20 0.44

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
SCHEMBL455804 0.84 KDM4E (1.00) KDM1AKDM4EGLAMAPTKMT2A
SCHEMBL4154837 0.75 KDM4E (0.72) KDM1AKDM4EGLAMAPTKMT2A
SCHEMBL17423220 0.74 KDM4E (0.78) KDM1AKDM4EGLAMAPTKMT2A
SCHEMBL14100950 0.74 MAPT (0.78) KDM1AKDM4EGLAMAPTKMT2A
Hydrochloric Acid SCHEMBL28959157 0.74 RAB9A (0.73) KDM1AKDM4EGLAMAPTKMT2A
SCHEMBL10159584 0.74 KDM1A (0.74) KDM1AKDM4EGLAMAPTKMT2A
SCHEMBL30863325 0.73 KMT2A (0.75) KDM1AKDM4EGLAMAPTKMT2A
SCHEMBL4198244 0.70 KDM1A (0.71) KDM1AKDM4EGLAMAPTKMT2A
SCHEMBL30003990 0.70 KDM4E (0.70) KDM1AKDM4EGLAMAPTKMT2A
SCHEMBL4898172 0.70 KDM4E (0.70) KDM1AKDM4EGLAMAPTKMT2A

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-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed