SCHEMBL10101989

SCHEMBL10101989

CCc1ccc(Nc2nc(NC)c(/N=N/c3c(C#N)cnn3-c3ncccn3)c(C)c2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CASP3 P42574 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAP2K1 Q02750 4/20 0.34
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 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
SCHEMBL10102017 0.93 MAP2K1 (0.39) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10102001 0.92 CSNK2A1 (0.35) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10102105 0.91 ALDH1A1 (0.38) ALDH1A1NPSR1MAP2K1
SCHEMBL10102041 0.91 ALDH1A1 (0.38) ALDH1A1NPSR1MAP2K1
SCHEMBL10101976 0.90 CDK4 (0.35) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10102018 0.90 ALDH1A1 (0.31) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10101974 0.89 KDM4E (0.41) HPGDALDH1A1SMN1; SMN2L3MBTL1MAP2K1
SCHEMBL10102014 0.87 MAPT (0.37) HPGDALDH1A1MAP2K1KDM4EHSD17B10
SCHEMBL10102065 0.87 KMT2A (0.30)
SCHEMBL10102026 0.87 MAP2K1 (0.36) HPGDCYP2C9CYP2C19CYP3A4ALDH1A1

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