SCHEMBL10101866

SCHEMBL10101866

CNc1nc(N2CCCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
TP53 P04637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ACHE P22303 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SRC P12931 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 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
SCHEMBL10101871 0.87 RAB9A (0.55) NPC1RAB9ATP53KDM4EGAA
SCHEMBL10101837 0.86 RAB9A (0.53) NPC1RAB9ATP53GAAHPGD
SCHEMBL10101855 0.84 RAB9A (0.57) NPC1RAB9ATP53KDM4EHPGD
SCHEMBL10101825 0.82 TSHR (0.33) KDM4EGAAHPGDMAPTSMN1; SMN2
SCHEMBL10106721 0.82 KDM4E (0.40) NPC1RAB9ATP53KDM4EGAA
SCHEMBL10101972 0.81 CNR2 (0.34) KDM4EGAAHPGDSMN1; SMN2ACHE
SCHEMBL10101966 0.77 KDM4E (0.34) KDM4EHPGDALDH1A1TSHRHSD17B10
SCHEMBL10106461 0.76 RAB9A (0.44) NPC1RAB9ATP53HPGDMAPT
SCHEMBL10102007 0.76 RAB9A (0.49) NPC1RAB9ATP53KDM4EHPGD
SCHEMBL10106455 0.76 KMT2A (0.38) KDM4EGAAHPGDSMN1; SMN2L3MBTL1

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-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