SCHEMBL9999685

SCHEMBL9999685

NCCSc1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
TLR7 Q9NYK1 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ADRB2 P07550 1/20 0.43
KMT2A Q03164 2/20 0.42
BACE1 P56817 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP2C9 P11712 2/20 0.40
DDAH1 O94760 1/20 0.40
ADRA2C P18825 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT6 P42226 1/20 0.40
MEN1 O00255 1/20 0.39
KIF11 P52732 1/20 0.38
ACP1 P24666 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL13602573 0.85 MAPT (0.63) MAPTTLR7ADORA2AADORA1ADRB2
SCHEMBL11934977 0.84 MAPT (0.60) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL13940133 0.83 MAPT (0.72) MAPTTLR7ADORA2AADORA1ADRB2
SCHEMBL9999693 0.82 MAPT (0.48) MAPTTLR7ADRB2KMT2AMEN1
SCHEMBL1395714 0.81 MAPT (0.56) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL7693307 0.80 MAPT (0.68) MAPTTLR7ADORA2AADORA1ADRB2
SCHEMBL10133723 0.80 MAPT (0.68) MAPTTLR7ADORA2AADORA1ADRB2
SCHEMBL18499105 0.80 CYP2C9 (0.63) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL9999690 0.80 MAPT (0.44) MAPTKMT2AMEN1KIF11KDM4E
SCHEMBL9999683 0.78 MAPT (0.42) MAPTKMT2ACYP1A2CYP2C19MEN1

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 3 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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed