SCHEMBL4753319

SCHEMBL4753319

Cc1cc(=O)n(-c2ccc(F)cc2)c(C2CC3CC3C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NOTUM Q6P988 1/20 0.37
PKM P14618 1/20 0.35
EGFR P00533 1/20 0.34
MET P08581 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AOC3 Q16853 1/20 0.34
RBP4 P02753 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL13985524 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL13985516 0.83 USP14 (0.38) POLB
SCHEMBL4755761 0.81 SLC6A3 (0.39) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL4755656 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL4755659 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL4790013 0.80 MCHR1 (0.35) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL13985505 0.80 MCHR1 (0.35) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL4756481 0.74 CRHR1 (0.41) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL4753362 0.74 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL13985522 0.74 CRHR1 (0.41) MEN1KMT2AALDH1A1KDM4ENPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO claimed
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed