SCHEMBL7911933

SCHEMBL7911933

COc1cc(N)c(C)cc1NC(=O)c1ccccc1F.O=C(O)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
MEN1 O00255 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 9/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
CYP1A2 P05177 2/20 0.50
MAPK1 P28482 1/20 0.50
HPGD P15428 3/20 0.49
HTT P42858 1/20 0.49
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL6816255 0.88 ALDH1A1 (0.66) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7785382 0.79 KMT2A (0.63) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7079773 0.79 KMT2A (0.69) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7567776 0.77 MEN1 (0.50) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL5475142 0.74 MEN1 (0.66) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7785213 0.73 KMT2A (0.55) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7078679 0.73 FADS1 (0.55) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7666015 0.73 GFER (0.47) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7078989 0.72 GFER (0.58) KMT2AMEN1TDP1ALDH1A1MAPT
SCHEMBL7860654 0.72 KMT2A (0.53) KMT2AMEN1TDP1ALDH1A1MAPT

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