SCHEMBL997783

SCHEMBL997783

CCC(NC(=O)N1CCCc2c([nH]c3ccccc23)C1C(F)(F)F)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
POLB P06746 4/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.53
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.48
LMNA P02545 4/20 0.45
ABCB1 P08183 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 1/20 0.39

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
SCHEMBL1000594 0.82 POLB (0.71) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL6007306 0.82 MAPT (0.65) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL1079130 0.82 MAPT (0.65) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL1078960 0.81 MAPT (0.88) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL1000642 0.81 POLB (0.59) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL1000874 0.80 MAPT (0.58) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL999129 0.80 MAPT (0.57) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL997703 0.78 MAPT (0.62) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL1001595 0.77 MAPT (0.76) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL999097 0.77 MAPT (0.75) MAPTNPSR1POLBMEN1KMT2A

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-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed