SCHEMBL10452777

SCHEMBL10452777

COC(=O)c1cnn(C)c1/N=N/c1c(C)nn(-c2nnc(-n3nc(C)c(/N=N/c4c(C(=O)OC)cnn4C)c3N)s2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ HPGD P15428 2/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPT P10636 7/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL13161110 0.94 NPC1 (0.32) NPC1RAB9AHPGDKMT2ACYP1A2
SCHEMBL9972795 0.94 NPC1 (0.32) NPC1RAB9AHPGDKMT2ACYP1A2
SCHEMBL13159983 0.91 MAPT (0.31) NPC1RAB9AMAPTPPARGNCOA2
SCHEMBL10452732 0.87 KMT2A (0.39) NPC1RAB9AHPGDKMT2ACYP1A2
SCHEMBL13131240 0.85 NPC1 (0.37) NPC1RAB9AHPGDKMT2ACYP1A2
SCHEMBL10135950 0.85 KMT2A (0.36) NPC1RAB9AHPGDKMT2ACYP1A2
SCHEMBL14765489 0.84 NPC1 (0.32) NPC1RAB9AMAPT
SCHEMBL10452774 0.84 KMT2A (0.40) NPC1RAB9AHPGDKMT2ACYP1A2
SCHEMBL10453828 0.84 NPC1 (0.46) NPC1RAB9AHPGDKMT2ACYP1A2
SCHEMBL10234009 0.84 NPC1 (0.37) NPC1RAB9AHPGDKMT2ACYP1A2

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-8426495-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-23 — — 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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