SCHEMBL6814712

SCHEMBL6814712

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
LMNA P02545 4/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 1/20 0.38
GRM4 Q14833 1/20 0.38
PTPRC P08575 1/20 0.38

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
SCHEMBL6816282 1.00 KMT2A (0.42) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL6815379 1.00 KMT2A (0.42) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL6814796 0.93 LMNA (0.45) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL6815540 0.93 LMNA (0.45) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL6811224 0.92 LMNA (0.45) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL6811906 0.91 ALDH1A1 (0.43) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6814679 0.87 KMT2A (0.45) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL6811017 0.85 KMT2A (0.43) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL6815853 0.85 MEN1 (0.55) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL6815663 0.85 MEN1 (0.55) KMT2AMEN1LMNATP53ALDH1A1

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-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
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