SCHEMBL10102001

SCHEMBL10102001

CNc1nc(Nc2ccc(C)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.35
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CDK1 P06493 1/20 0.34
KDR P35968 1/20 0.34
DHODH Q02127 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 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
SCHEMBL10102041 0.94 ALDH1A1 (0.38) CSNK2A1RXFP1ALDH1A1MEN1KMT2A
SCHEMBL10102105 0.94 ALDH1A1 (0.38) CSNK2A1RXFP1ALDH1A1MEN1KMT2A
SCHEMBL10101976 0.93 CDK4 (0.35) CSNK2A1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10102018 0.93 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2HPGDPOLBCYP1A2
SCHEMBL10102065 0.92 KMT2A (0.30) KMT2A
SCHEMBL10101989 0.92 HPGD (0.44) ALDH1A1LMNASMN1; SMN2KDM4ETDP1
SCHEMBL10101974 0.92 KDM4E (0.41) RXFP1ALDH1A1SMN1; SMN2KDM4ECDK1
SCHEMBL10102017 0.91 MAP2K1 (0.39) CSNK2A1ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL10102024 0.91 KMT2A (0.39) RXFP1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10102026 0.90 MAP2K1 (0.36) CSNK2A1RXFP1ALDH1A1SMN1; SMN2KDM4E

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