SCHEMBL10454081

SCHEMBL10454081

COC(=O)c1c(-c2ccccn2)nn(C)c1/N=N/c1c(C)nn(-c2cc(-n3nc(C)c(/N=N/c4c(C(=O)OC)c(-c5ccccn5)nn4C)c3N)ncn2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KLK3 P07288 1/20 0.35
▸ SLC34A1 Q06495 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CASP1 P29466 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RET P07949 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA3 P34903 1/20 0.33

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
SCHEMBL13159971 0.95 MAPT (0.38) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL9972781 0.94 MAPT (0.37) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL10454068 0.89 TP53 (0.44) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL15382004 0.86 NPC1 (0.33) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL10453830 0.85 HPGD (0.41) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL13159969 0.84 SLC34A1 (0.40) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL9972779 0.84 SLC34A1 (0.41) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL13159982 0.81 HPGD (0.38) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL10454069 0.81 GABRP (0.38) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL10454078 0.80 NPC1 (0.47) MAPTHPGDALDH1A1NPC1RAB9A

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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