SCHEMBL6814718

SCHEMBL6814718

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GPR35 Q9HC97 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK10 P53779 1/20 0.35
PPARG P37231 1/20 0.34

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
SCHEMBL6815384 1.00 TP53 (0.40) TP53LMNASMN1; SMN2GPR35ALDH1A1
SCHEMBL6816288 1.00 TP53 (0.40) TP53LMNASMN1; SMN2GPR35ALDH1A1
SCHEMBL6814802 0.93 MAOB (0.40) TP53LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6814706 0.92 LMNA (0.41) TP53LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6814687 0.88 TP53 (0.42) TP53LMNASMN1; SMN2GPR35ALDH1A1
SCHEMBL6815185 0.85 TP53 (0.41) TP53LMNASMN1; SMN2GPR35ALDH1A1
SCHEMBL6816428 0.83 LMNA (0.41) TP53LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6815077 0.83 GRM4 (0.41) TP53LMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL6814634 0.82 NPC1 (0.51) TP53LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL6815982 0.82 NPC1 (0.51) TP53LMNASMN1; SMN2ALDH1A1MAPT

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