SCHEMBL14845525

SCHEMBL14845525

CCCCc1nn(-c2cc(-n3nc(CCCC)c(/N=N/c4c(C(=O)OC)c(SC)nn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(=O)OC)c(SC)nn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.35
▸ GABRD O14764 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRB1 P18505 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ GABRA4 P48169 2/20 0.35
▸ GABRE P78334 2/20 0.35
▸ GABRA6 Q16445 2/20 0.35
▸ GABRG1 Q8N1C3 2/20 0.35
▸ GABRG3 Q99928 2/20 0.35
▸ GABRQ Q9UN88 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 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
SCHEMBL14548533 0.95 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9974621 0.90 GABRP (0.30) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14845512 0.89 SLC34A1 (0.34) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL10454069 0.85 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10167889 0.85 SLC34A1 (0.32) HPGD
SCHEMBL14845513 0.85 TP53 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10456879 0.83 NPC1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15382004 0.83 NPC1 (0.33) GABRG2GABRB3GABRA3ALDH1A1CYP1A2
SCHEMBL9974642 0.81 TP53 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10332097 0.81 DPP4 (0.33) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154209-B1 Water-based ink composition for inkjet recording FUJIFILM CORP (JP) 2014-12-31 — — EP disclosed
US-8835531-B2 Water-based ink composition for inkjet recording FUJIFILM CORPORATION (JP) 2014-09-16 — — US disclosed
US-8641785-B2 Aqueous pigment dispersion and aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2014-02-04 — — US disclosed
US-8580025-B2 Ink set, recording method, recorded material and printed material FUJIFILM CORPORATION (JP) 2013-11-12 — — US disclosed
US-8500897-B2 Ink set, recorded material and printed material FUJIFILM CORPORATION (JP) 2013-08-06 — — 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-8415409-B2 Radiation-curable ink composition for inkjet recording, inkjet recording method, and printed matter FUJIFILM CORPORATION (JP) 2013-04-09 — — US disclosed
US-8393725-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-03-12 — — US disclosed
US-8348408-B2 Ink set and image forming method FUJIFILM CORPORATION (JP) 2013-01-08 — — US disclosed
US-20110205289-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2011-08-25 — — US disclosed
US-20110050790-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
US-20110050789-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 — — US disclosed
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