SCHEMBL4072774

SCHEMBL4072774

COC(=O)C(C#N)=CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.38
APP P05067 2/20 0.37
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
TNNI3 P19429 1/20 0.35
CRHBP P24387 1/20 0.35
TNNT2 P45379 1/20 0.35
KLK7 P49862 1/20 0.35
TNNC1 P63316 1/20 0.35
CRHR2 Q13324 1/20 0.35
SNCA P37840 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 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
SCHEMBL10136090 1.00 ADORA2A (0.40) ADORA2AADORA2BADORA1CYP2C9POLB
SCHEMBL2671871 0.83 CYP2C9 (0.42) ADORA2AADORA2BADORA1CYP2C9POLB
SCHEMBL10167752 0.83 CYP2C9 (0.42) ADORA2AADORA2BADORA1CYP2C9POLB
SCHEMBL9974660 0.82 CYP2C9 (0.41) ADORA2AADORA2BADORA1CYP2C9POLB
SCHEMBL17859724 0.80 CYP2C9 (0.40) ADORA2AADORA2BADORA1CYP2C9POLB
SCHEMBL27679283 0.80 CYP2C9 (0.40) ADORA2AADORA2BADORA1CYP2C9POLB
SCHEMBL7618854 0.80
SCHEMBL18655709 0.80
SCHEMBL7474650 0.80
SCHEMBL15688613 0.79 ADORA2A (0.37) ADORA2AADORA2BADORA1CYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8641785-B2 Aqueous pigment dispersion and aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2014-02-04 US disclosed
US-8580025-B2 Ink set, recording method, recorded material and printed material FUJIFILM CORPORATION (JP) 2013-11-12 US disclosed
US-8500897-B2 Ink set, recorded material and printed material FUJIFILM CORPORATION (JP) 2013-08-06 US disclosed
US-8236065-B2 Azo pigment, process for producing azo pigment, dispersion containing azo pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-08-07 US disclosed
US-8222410-B2 Azo pigments, and pigment dispersion, coloring composition and ink for inkjet recording containing the azo pigment FUJIFILM CORPORATION (JP) 2012-07-17 US disclosed
US-20120165438-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 US disclosed
US-20120165437-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 US disclosed
US-20120156449-A1 INK SET, RECORDING METHOD, RECORDED MATERIAL AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-8172910-B2 Azo pigment, process for producing azo pigment, and dispersion and coloring composition containing azo pigment FUJIFILM CORPORATION (JP) 2012-05-08 US disclosed
US-8080067-B2 Azo pigment composition, production process of azo pigment composition, dispersion containing azo pigment composition, coloring composition and ink for inkjet recording FUJIFILM CORPORATION (JP) 2011-12-20 US disclosed
US-8062383-B2 Azo pigment composition, process for producing azo pigment composition, dispersion containing azo pigment composition, coloring composition and ink for inkjet recording FUJIFILM CORPORATION (JP) 2011-11-22 US disclosed
US-20110245475-A1 AZO PIGMENT, PROCESS FOR PRODUCING AZO PIGMENT, DISPERSION CONTAINING AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-10-06 US disclosed
US-20110179974-A1 AZO PIGMENT, PROCESS FOR PRODUCING AZO PIGMENT, AND DISPERSION AND COLORING COMPOSITION CONTAINING AZO PIGMENT FUJIFILM CORPORATION (JP) 2011-07-28 US disclosed
US-20110023753-A1 AZO PIGMENT COMPOSITION, PROCESS FOR PRODUCING AZO PIGMENT COMPOSITION, DISPERSION CONTAINING AZO PIGMENT COMPOSITION, COLORING COMPOSITION AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-02-03 US disclosed
US-20110021763-A1 AZO PIGMENTS, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE AZO PIGMENT FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20110017099-A1 AZO PIGMENT COMPOSITION, PRODUCTION PROCESS OF AZO PIGMENT COMPOSITION, DISPERSION CONTAINING AZO PIGMENT COMPOSITION, COLORING COMPOSITION AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed