SCHEMBL10101966

SCHEMBL10101966

CNc1nc(N2CCSCC2)cc(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BLM P54132 1/20 0.31
CSNK2A1 P68400 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
SCHEMBL10101825 0.92 TSHR (0.33) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL10101972 0.91 CNR2 (0.34) KDM4EALDH1A1HPGDTSHRBLM
SCHEMBL10101961 0.90 HTR3A (0.38) KDM4EALDH1A1HPGDTSHRBLM
SCHEMBL10101823 0.90 HTT (0.36) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL10102088 0.90 HTT (0.36) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL10101831 0.85
SCHEMBL10101983 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL10101841 0.82 NPC1 (0.30)
SCHEMBL10106455 0.82 KMT2A (0.38) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL10101949 0.80 NPC1 (0.32) ALDH1A1

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