SCHEMBL10452774

SCHEMBL10452774

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nc(N)nc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)n2)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.40
▸ MEN1 O00255 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ SPR P35270 1/20 0.33
▸ MAPT P10636 8/20 0.33
▸ NPC1 O15118 8/20 0.33
▸ RAB9A P51151 8/20 0.33
▸ TDP1 Q9NUW8 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL13159975 0.94 KMT2A (0.36) KMT2AMEN1TSHRHPGDCYP1A2
SCHEMBL9972791 0.94 KMT2A (0.36) KMT2AMEN1TSHRHPGDCYP1A2
SCHEMBL10454086 0.93 KMT2A (0.39) KMT2AMEN1TSHRHPGDCYP1A2
SCHEMBL10452739 0.93 KMT2A (0.39) KMT2AMEN1TSHRHPGDCYP1A2
SCHEMBL10454087 0.91 KMT2A (0.38) KMT2AMEN1TSHRHPGDCYP1A2
SCHEMBL10454130 0.91 KMT2A (0.38) KMT2AMEN1TSHRHPGDCYP1A2
SCHEMBL10454085 0.91 NPC1 (0.38) KMT2AMEN1TSHRHPGDCYP1A2
SCHEMBL10331433 0.90 KMT2A (0.38) KMT2AMEN1TSHRHPGDCYP1A2
SCHEMBL12353612 0.90 KMT2A (0.33) KMT2AMEN1TSHRHPGD
SCHEMBL20405569 0.89 KMT2A (0.37) KMT2AMEN1TSHRHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835531-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2014-09-16 — — US disclosed
US-8393725-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-03-12 — — US disclosed
US-8222326-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20100240812-A1 OIL-BASED INKJET RECORDING INK FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
US-20100222472-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
US-20100160504-A1 WATER-BASED INK COMPOSITION FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2010-06-24 — — US disclosed
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