SCHEMBL2013290

SCHEMBL2013290

CON(C)C(=O)c1[c]c2ncccc2cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 2/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
CLK1 P49759 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MLYCD O95822 1/20 0.31

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
SCHEMBL2018364 0.76 KDM4E (0.39) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL7950881 0.74 KDM4E (0.41) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL29977012 0.70 HTT (0.50) KMT2AMEN1TRPM8ALDH1A1HPGD
SCHEMBL22116897 0.70 HTT (0.50) KMT2AMEN1TRPM8ALDH1A1HPGD
SCHEMBL307472 0.70 P2RX7 (0.50) KDM4ELMNATRPM8ALDH1A1ALOX15
SCHEMBL3922378 0.70 PARP1 (0.55) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL643192 0.69 ALDH1A1 (0.46) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL2017299 0.69 ALDH1A1 (0.60) ALDH1A1
SCHEMBL2308777 0.68 TRPM8 (0.38) KDM4ELMNAKMT2AMEN1TRPM8
SCHEMBL361516 0.68 ALOX15 (0.65) LMNAKMT2AMEN1ALDH1A1HTT

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-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed