SCHEMBL13845035

SCHEMBL13845035

CC1C=C(c2ncc(C(=O)NO)c(-c3ccccc3)n2)C=CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
THRB P10828 2/20 0.38
HSD11B1 P28845 1/20 0.37
RXFP1 Q9HBX9 8/20 0.37
TP53 P04637 1/20 0.36
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL976971 0.77 MEN1 (0.74) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL976186 0.72 MEN1 (0.65) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL17637656 0.71 L3MBTL1 (0.35) KMT2ALMNAALDH1A1HTTL3MBTL1
SCHEMBL976960 0.67 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL19413677 0.67 L3MBTL1 (0.54) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL24381707 0.65 NPC1 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL11738224 0.64 MEN1 (0.70) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL21507729 0.64 MAPT (0.40) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL6016478 0.63 MEN1 (0.69) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL22109693 0.63 ALDH1A1 (0.43) KMT2ALMNAALDH1A1MAPTSMN1; SMN2

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-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed