SCHEMBL10101967

SCHEMBL10101967

CNc1nc(N2CCNCC2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 6/20 0.34
HPGD P15428 2/20 0.34
TAAR1 Q96RJ0 2/20 0.33
SOS1 Q07889 1/20 0.32
RET P07949 2/20 0.32
ERAP1 Q9NZ08 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNT1 O60563 3/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CDK9 P50750 3/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CDK7 P50613 2/20 0.32
CCNH P51946 2/20 0.32
CCNA1 P78396 2/20 0.32
HIF1A Q16665 1/20 0.30
CDK4 P11802 1/20 0.30

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
SCHEMBL10101897 0.92 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
SCHEMBL10101969 0.91 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
SCHEMBL10101978 0.90 SMN1; SMN2 (0.36) ALDH1A1KDM4EHPGDSOS1SMN1; SMN2
SCHEMBL10101983 0.90 KDM4E (0.38) ALDH1A1KDM4EHPGD
SCHEMBL10101952 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHIF1A
SCHEMBL10101999 0.87 KDM4E (0.36) ALDH1A1KDM4EHPGDTDP1CCNT1
SCHEMBL10101913 0.86 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
SCHEMBL10101979 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
SCHEMBL10101964 0.81 KDM4E (0.37) ALDH1A1KDM4EHPGDHIF1A
SCHEMBL10101914 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDTDP1SMN1; 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