SCHEMBL10454069

SCHEMBL10454069

COC(=O)c1c(SC)nn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)c(SC)nn4C)c3N)ncn2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.38
▸ GABRD O14764 2/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRB1 P18505 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ GABRA4 P48169 2/20 0.38
▸ GABRE P78334 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38
▸ GABRG1 Q8N1C3 2/20 0.38
▸ GABRG3 Q99928 2/20 0.38
▸ GABRQ Q9UN88 2/20 0.38
▸ HPGD P15428 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 4/20 0.34

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
SCHEMBL13159980 0.95 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10453830 0.89 HPGD (0.41) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL9972785 0.88 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14845525 0.85 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13159982 0.85 HPGD (0.38) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL9972778 0.83 HPGD (0.37) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL10454068 0.83 TP53 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14548533 0.81 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10454081 0.81 MAPT (0.41) GABRG2GABRB3GABRA3HPGDALDH1A1
SCHEMBL10453828 0.81 NPC1 (0.46) HPGDALDH1A1MAPTNPC1RAB9A

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 7 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-8415409-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-09 — — 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-20100221506-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING,INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — 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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