SCHEMBL6814920

SCHEMBL6814920

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 4/20 0.43
HSD17B10 Q99714 2/20 0.43
MAOB P27338 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 3/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPRC P08575 2/20 0.40
CTSL P07711 1/20 0.40
PTPN1 P18031 1/20 0.40
CTSS P25774 1/20 0.40
PTPN13 Q12923 1/20 0.40
GRM4 Q14833 1/20 0.40
KLK7 P49862 1/20 0.40

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
SCHEMBL6814796 0.91 LMNA (0.45) LMNAKMT2AMAOBALDH1A1KDM4E
SCHEMBL6815540 0.91 LMNA (0.45) LMNAKMT2AMAOBALDH1A1KDM4E
SCHEMBL6811224 0.84 LMNA (0.45) LMNAKMT2AALDH1A1KDM4EPOLB
SCHEMBL6816282 0.83 KMT2A (0.42) LMNAKMT2AALDH1A1KDM4EPOLB
SCHEMBL6815379 0.83 KMT2A (0.42) LMNAKMT2AALDH1A1KDM4EPOLB
SCHEMBL6814712 0.83 KMT2A (0.42) LMNAKMT2AALDH1A1KDM4EPOLB
SCHEMBL6811906 0.83 ALDH1A1 (0.43) LMNAKMT2AALDH1A1KDM4EPOLB
SCHEMBL7918346 0.83 KMT2A (0.51) LMNAKMT2AHSD17B10MAOBALDH1A1
SCHEMBL6819272 0.82 LMNA (0.53) MTORLMNAKMT2AHSD17B10ALDH1A1
SCHEMBL6814802 0.81 MAOB (0.40) LMNAKMT2AMAOBALDH1A1KDM4E

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 3 patents. 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 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