SCHEMBL1040901

SCHEMBL1040901

COc1cccc(CNCc2ccc3c(c2)OCO3)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 1/20 0.58
MCHR1 Q99705 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
MEN1 O00255 1/20 0.55
CHRM2 P08172 1/20 0.54

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
SCHEMBL1042326 0.87 KMT2A (0.66) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL1912854 0.86 KMT2A (0.62) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL28753718 0.84 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMCHR1HTR2A
SCHEMBL14416826 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL23439634 0.82 GAA (0.63) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL109279 0.82 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL1134127 0.82 CHRM2 (0.74) ALDH1A1KMT2AKDM4EHTR2AMEN1
SCHEMBL647938 0.81 ALDH1A1 (0.70) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL1038949 0.80 KMT2A (0.81) ALDH1A1KMT2AKDM4EHTR2AHTR2C
Hydrochloric Acid SCHEMBL6122475 0.80 CHRM2 (0.72) ALDH1A1KMT2AKDM4EHTR2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480941-B1 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC (CA) 2011-01-26 EP disclosed
EP-1480941-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2004-12-01 EP disclosed
WO-2003074467-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2003-09-12 WO disclosed
US-6528532-B1 Benzenesulfonamide group PHARMACOR INC. (CA) 2003-03-04 US disclosed