SCHEMBL6673972

SCHEMBL6673972

CN(C)c1ccc2nc3c4ccccc4/c(=N/c4ccc(N)cc4)cc-3oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 6/20 0.39
MAPK1 P28482 5/20 0.39
LMNA P02545 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 3/20 0.35
HTT P42858 1/20 0.35
CASP3 P42574 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM1A O60341 1/20 0.33
PSMB5 P28074 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL6673977 1.00 MEN1 (0.47) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL7595549 0.91 MEN1 (0.51) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL7595553 0.91 MEN1 (0.51) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL995695 0.88 MEN1 (0.48) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL12925200 0.88 MEN1 (0.48) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL995694 0.88 MEN1 (0.48) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL4747627 0.86 NPC1 (0.47) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL4747625 0.86 NPC1 (0.47) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6676971 0.85 RAB9A (0.46) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6676974 0.85 RAB9A (0.46) MEN1KMT2ARAB9ANPC1POLB

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
WO-2004041840-A2 PEPTIDE-BOUND CHROMOGENS USED FOR DETERMINING ENZYMATIC ACTIVITIES C-CIT AG (CH) 2004-05-21 WO disclosed