SCHEMBL7904791

SCHEMBL7904791

COc1c(Cl)cc(NC(=S)Nc2ccccc2NC(=O)c2ccccc2F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KMT2A Q03164 5/20 0.57
KDM4E B2RXH2 4/20 0.57
HPGD P15428 3/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 1/20 0.52
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
TAS1R2 Q8TE23 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
GRM4 Q14833 1/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL6815015 0.91 RAB9A (0.65) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL7682760 0.81 FADS1 (0.55) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL7666799 0.81 KMT2A (0.57) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL6819355 0.80 MAPK1 (0.66) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL6815767 0.79 KMT2A (0.74) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL7904734 0.79 MEN1 (0.65) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL7671864 0.79 KMT2A (0.52) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL7674945 0.79 GRM4 (0.54) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL6815889 0.79 KMT2A (0.86) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL7665429 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed