SCHEMBL6676971

SCHEMBL6676971

CN(C)c1ccc2nc3c4ccccc4/c(=N/c4ccc([N+](=O)[O-])cc4)cc-3oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
C1R P00736 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL6676974 1.00 RAB9A (0.46) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL7595549 0.87 MEN1 (0.51) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL7595553 0.87 MEN1 (0.51) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6673977 0.85 MEN1 (0.47) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6673972 0.85 MEN1 (0.47) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL12925200 0.84 MEN1 (0.48) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL995695 0.84 MEN1 (0.48) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL995694 0.84 MEN1 (0.48) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4747627 0.84 NPC1 (0.47) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4747625 0.84 NPC1 (0.47) RAB9ANPC1MEN1KMT2APOLB

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