SCHEMBL15060596

SCHEMBL15060596

CCC(=N)/C=C\Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
RAB9A P51151 8/20 0.47
MAPT P10636 8/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 2/20 0.46
APP P05067 1/20 0.46
SNCA P37840 1/20 0.46
BRCA1 P38398 1/20 0.46
STAT1 P42224 1/20 0.45
POLB P06746 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL13017071 0.82 L3MBTL1 (0.44) L3MBTL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL14326968 0.80 L3MBTL1 (0.51) L3MBTL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19192553 0.77 RAB9A (0.49) L3MBTL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL29328927 0.77 RAB9A (0.49) L3MBTL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL23176353 0.76 L3MBTL1 (0.48) L3MBTL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL16866011 0.72 L3MBTL1 (0.44) L3MBTL1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL22359675 0.69 LOXL2 (0.40) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL13062939 0.68 RECQL (0.49) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL20274443 0.68 RAB9A (0.51) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL16361384 0.66 KMT2A (0.41) L3MBTL1RAB9AMAPTNPC1SMN1; 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
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed