SCHEMBL5067711

SCHEMBL5067711

N=C(NNC(=N)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
F12 P00748 1/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
PKM P14618 1/20 0.50
BLM P54132 2/20 0.48
KMT2A Q03164 3/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
RECQL P46063 2/20 0.46
C1S P09871 1/20 0.46
CES1 P23141 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL9558937 0.85 F2 (0.42) F2F10F12F7F3
SCHEMBL11921058 0.83 PTGS2 (0.57) F2F10F12F7F3
Hydrochloric Acid SCHEMBL11553880 0.83 BLM (0.44) F2F10F12F7F3
SCHEMBL3198029 0.82 F2 (0.50) F2F10F12F7F3
Benzamidoxime SCHEMBL194059 0.80 HDAC8 (0.50) F2F10F12F7F3
SCHEMBL10401264 0.79 TGM2 (0.48) KMT2ACES1TDP1MAPTALOX15
SCHEMBL24689815 0.78 PRSS1 (0.46) PRSS1PRSS2PRSS3HDAC8NPC1
SCHEMBL15589115 0.78 F2 (0.46) F2F10F12F7F3
SCHEMBL8737382 0.78 F2 (0.46) F2F10F12F7F3
SCHEMBL3557897 0.78 F2 (0.52) F2F10F12F7F3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732231-B2 Method of making electrophoretic dispersion E INK CALIFORNIA, LLC (US) 2017-08-15 US disclosed
US-20160333185-A1 METHOD OF MAKING ELECTROPHORETIC DISPERSION E INK CALIFORNIA, LLC (US) 2016-11-17 US disclosed
US-9428649-B2 Electrophoretic dispersion E INK CALIFORNIA, LLC (US) 2016-08-30 US disclosed
US-20120112131-A1 ELECTROPHORETIC DISPERSION E INK CORPORATION 2012-05-10 US disclosed