SCHEMBL10101972

SCHEMBL10101972

CNc1nc(N2CCCCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ACHE P22303 1/20 0.34
AR P10275 1/20 0.32
NUDT1 P36639 2/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNT1 O60563 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CDK9 P50750 2/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL10101825 0.99 TSHR (0.33) CNR2ALDH1A1TSHRTDP1LMNA
SCHEMBL10101961 0.92 HTR3A (0.38) ALDH1A1TSHRKDM4ESMN1; SMN2HPGD
SCHEMBL10102088 0.91 HTT (0.36) ALDH1A1TSHRKDM4EGAAL3MBTL1
SCHEMBL10101966 0.91 KDM4E (0.34) ALDH1A1TSHRKDM4EHPGDBLM
SCHEMBL10101823 0.91 HTT (0.36) ALDH1A1TSHRKDM4EGAAL3MBTL1
SCHEMBL10101831 0.86
SCHEMBL10101841 0.84 NPC1 (0.30)
SCHEMBL10101969 0.84 ALDH1A1 (0.36) CNR2ALDH1A1TSHRTDP1LMNA
SCHEMBL10106455 0.84 KMT2A (0.38) ALDH1A1TSHRKDM4EGAAL3MBTL1
SCHEMBL10101897 0.83 ALDH1A1 (0.35) ALDH1A1TSHRTDP1LMNAKDM4E

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