SCHEMBL13159974

SCHEMBL13159974

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ GPR35 Q9HC97 1/20 0.30
▸ HPGD P15428 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
SCHEMBL13159975 0.94 KMT2A (0.36) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL10454086 0.94 KMT2A (0.39) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL13159970 0.93 KMT2A (0.35) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL13159977 0.92 KMT2A (0.35) KMT2AMEN1TSHR
SCHEMBL12353617 0.91 KMT2A (0.34) KMT2AMEN1
SCHEMBL10172911 0.91 NPC1 (0.34) KMT2ACYP1A2CYP3A4PKMCYP2C19
SCHEMBL13159976 0.91 KMT2A (0.34) KMT2A
SCHEMBL20405569 0.90 KMT2A (0.37) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL10453862 0.88 KMT2A (0.35) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL9972790 0.88 KMT2A (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426495-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-23 — — US disclosed
US-20100221507-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING, INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
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