SCHEMBL19852903

SCHEMBL19852903

NCCCNC(=O)c1nc[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 1/20 0.36
BRD4 O60885 3/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
P2RX7 Q99572 1/20 0.35
FLT3 P36888 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 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
SCHEMBL9999597 0.90 MAOB (0.45) KDM4EMAOBP2RX7
SCHEMBL10245160 0.83 TSHR (0.49) KDM4E
SCHEMBL13263618 0.82 NAAA (0.49) KDM4E
SCHEMBL10780680 0.81 NAAA (0.51) KDM4E
SCHEMBL4434322 0.80
SCHEMBL13233289 0.80 MLYCD (0.36) KDM4E
SCHEMBL1920570 0.79 POLB (0.42) KDM4E
SCHEMBL22372109 0.78 KDM4E (0.48) KDM4E
SCHEMBL27921654 0.78 LMNA (0.41) KDM4EPRSS1
SCHEMBL1763316 0.77 CCNE2 (0.39) P2RX7

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-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed