SCHEMBL6811906

SCHEMBL6811906

C[C@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
KCNMA1 Q12791 1/20 0.43
MEN1 O00255 2/20 0.42
GRM4 Q14833 2/20 0.42
PNLIP P16233 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
S1PR3 Q99500 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL6815540 0.93 LMNA (0.45) ALDH1A1KMT2AKDM4EMEN1GRM4
SCHEMBL6814796 0.93 LMNA (0.45) ALDH1A1KMT2AKDM4EMEN1GRM4
SCHEMBL6811224 0.92 LMNA (0.45) ALDH1A1KMT2AKDM4EMEN1GRM4
SCHEMBL6814712 0.91 KMT2A (0.42) ALDH1A1KMT2AKDM4EMEN1GRM4
SCHEMBL6816282 0.91 KMT2A (0.42) ALDH1A1KMT2AKDM4EMEN1GRM4
SCHEMBL6815379 0.91 KMT2A (0.42) ALDH1A1KMT2AKDM4EMEN1GRM4
SCHEMBL6815070 0.86 GRM4 (0.51) ALDH1A1KMT2AKDM4EMEN1GRM4
SCHEMBL6814227 0.85 MEN1 (0.55) ALDH1A1KMT2AMEN1PNLIPLMNA
SCHEMBL6815531 0.85 MEN1 (0.55) ALDH1A1KMT2AMEN1PNLIPLMNA
SCHEMBL6815953 0.85 MEN1 (0.55) ALDH1A1KMT2AMEN1PNLIPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP claimed
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 claimed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
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
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed