SCHEMBL20405569

SCHEMBL20405569

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(OC)nc(-n3nc(C)c(N)c3N)n2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ SPR P35270 1/20 0.31
▸ MAPT P10636 5/20 0.31
▸ NPC1 O15118 4/20 0.31
▸ RAB9A P51151 4/20 0.31
▸ TDP1 Q9NUW8 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL10454086 0.96 KMT2A (0.39) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL9972790 0.90 KMT2A (0.35) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL13159974 0.90 KMT2A (0.35) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL9972775 0.90 KMT2A (0.35) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL10452774 0.89 KMT2A (0.40) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL10452739 0.89 KMT2A (0.39) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL10454196 0.88 TSHR (0.45) KMT2AMEN1TSHRHPGDMAPT
SCHEMBL10454087 0.87 KMT2A (0.38) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL10454130 0.87 KMT2A (0.38) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL16328858 0.87 KMT2A (0.37) KMT2AMEN1TSHRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2671926-B1 AQUEOUS PIGMENT DISPERSION AND PROCESS FOR PRODUCTION THEREOF, AND INK FOR INKJET RECORDING FUJIFILM CORP (JP) 2018-07-25 — — EP disclosed
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