SCHEMBL10101949

SCHEMBL10101949

CNc1nc(N(C)C)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10101919 0.89 NPC1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10101841 0.87 NPC1 (0.30) NPC1RAB9A
SCHEMBL10101831 0.84
SCHEMBL10101825 0.82 TSHR (0.33) ALDH1A1SMN1; SMN2
SCHEMBL10101932 0.82 ALDH1A1 (0.32) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10101972 0.81 CNR2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL13068734 0.81 CDK2 (0.32) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10101920 0.81 MEN1 (0.37) RAB9ASMN1; SMN2
SCHEMBL10101855 0.81 RAB9A (0.57) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10101961 0.81 HTR3A (0.38) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed
EP-2253674-A1 AZO PIGMENT, PIGMENT DISPERSION, COLORING COMPOSITION, AND INKJET RECORDING INK FUJIFILM Corporation (JP) 2010-11-24 EP disclosed