SCHEMBL7918346

SCHEMBL7918346

C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
RAB9A P51151 9/20 0.42
NPC1 O15118 6/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 3/20 0.40
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL6811421 0.91 KMT2A (0.49) KMT2ACACNA1BAPBA1RAB9ANPC1
SCHEMBL6814537 0.83 KMT2A (0.42) KMT2ACACNA1BAPBA1RAB9ANPC1
SCHEMBL6814920 0.83 MTOR (0.47) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL6815183 0.79 KMT2A (0.52) KMT2ACACNA1BAPBA1RAB9ANPC1
SCHEMBL6814835 0.77 KMT2A (0.50) KMT2ACACNA1BAPBA1RAB9ANPC1
SCHEMBL6814954 0.77 KMT2A (0.51) KMT2ACACNA1BAPBA1RAB9ANPC1
SCHEMBL6811423 0.75 KMT2A (0.47) KMT2ACACNA1BAPBA1RAB9ANPC1
SCHEMBL6814796 0.74 LMNA (0.45) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL6815540 0.74 LMNA (0.45) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL6811224 0.73 LMNA (0.45) KMT2ARAB9ANPC1KDM4EALDH1A1

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