SCHEMBL9999683

SCHEMBL9999683

NCCSc1cc(C(F)(F)F)nc2c(Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR4A2 P43354 1/20 0.38
PARP1 P09874 1/20 0.37
CCR2 P41597 1/20 0.36
PDE7A Q13946 4/20 0.36
NT5E P21589 2/20 0.35
FABP4 P15090 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSNK2A1 P68400 1/20 0.34
HIPK4 Q8NE63 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IKBKB O14920 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9999690 0.86 MAPT (0.44) MAPTNPSR1MEN1KMT2ANT5E
SCHEMBL2710931 0.78 NT5E (0.48) MAPTNPSR1MEN1KMT2ANR4A2
SCHEMBL9999685 0.78 MAPT (0.64) MAPTMEN1KMT2ANT5EKDM4E
SCHEMBL2711485 0.73 MAP4K4 (0.41) NPSR1MEN1KMT2ANR4A2PARP1
SCHEMBL11836535 0.73 NT5E (0.46) NPSR1MEN1KMT2ANR4A2PARP1
SCHEMBL11831604 0.73 NR4A2 (0.41) NPSR1MEN1KMT2ANR4A2PARP1
SCHEMBL9999693 0.69 MAPT (0.48) MAPTMEN1KMT2ANT5EFABP4
SCHEMBL2711028 0.69 NT5E (0.49) MAPTNPSR1MEN1KMT2ANT5E
SCHEMBL15473209 0.68 NPSR1 (0.44) NPSR1NR4A2KDM4ELMNACYP1A2
SCHEMBL9493460 0.67 NT5E (0.43) NPSR1NT5EKDM4ELMNACYP1A2

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-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
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed