SCHEMBL10135950

SCHEMBL10135950

COC(=O)c1cnn(C)c1N=Nc1c(C)nn(C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPT P10636 6/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ NPC1 O15118 5/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 2/20 0.33
▸ SPR P35270 1/20 0.33
▸ GFER P55789 1/20 0.33

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
SCHEMBL10234009 0.87 NPC1 (0.37) KMT2ACYP1A2CYP2C19MEN1CYP2C9
SCHEMBL13131240 0.87 NPC1 (0.37) KMT2ACYP1A2CYP2C19MEN1CYP2C9
SCHEMBL10452732 0.86 KMT2A (0.39) KMT2ACYP1A2CYP2C19MEN1CYP2C9
SCHEMBL10452774 0.85 KMT2A (0.40) KMT2ACYP1A2CYP2C19MEN1CYP2C9
SCHEMBL10453828 0.85 NPC1 (0.46) KMT2ACYP1A2CYP2C19MAPTTDP1
SCHEMBL10452777 0.85 NPC1 (0.35) KMT2ACYP1A2CYP2C19MEN1CYP2C9
SCHEMBL10454086 0.84 KMT2A (0.39) KMT2ACYP1A2CYP2C19MEN1CYP2C9
SCHEMBL10452739 0.84 KMT2A (0.39) KMT2ACYP1A2CYP2C19MEN1CYP2C9
SCHEMBL16328858 0.84 KMT2A (0.37) KMT2ACYP1A2CYP2C19MEN1MAPT
SCHEMBL10454085 0.84 NPC1 (0.38) KMT2ACYP1A2CYP2C19MEN1CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8641785-B2 Aqueous pigment dispersion and aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2014-02-04 — — US disclosed
US-20120165438-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
US-20120165437-A1 AQUEOUS PIGMENT DISPERSION AND AQUEOUS INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
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