SCHEMBL10332109

SCHEMBL10332109

CCCCc1nn(-c2ncnc(-n3nc(CCCC)c(/N=N/c4c(C(=O)O)cnn4C)c3N)n2)c(N)c1/N=N/c1c(C(=O)O)cnn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ GABRA4 P48169 2/20 0.37
▸ GABRE P78334 2/20 0.37
▸ GABRA6 Q16445 2/20 0.37
▸ GABRG1 Q8N1C3 2/20 0.37
▸ GABRG3 Q99928 2/20 0.37
▸ GABRQ Q9UN88 2/20 0.37
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ AGTR1 P30556 2/20 0.33
▸ AGTR2 P50052 2/20 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
SCHEMBL12845906 0.92 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10332112 0.91 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14765502 0.90 NPC1 (0.36) NPC1RAB9AAGTR1AGTR2
SCHEMBL10332091 0.90 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12845907 0.89 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10332098 0.89 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13183217 0.88 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12845909 0.88 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13183855 0.86 NPC1 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9974622 0.86 NPC1 (0.33) NPC1RAB9AAGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222410-B2 Azo pigments, and pigment dispersion, coloring composition and ink for inkjet recording containing the azo pigment FUJIFILM CORPORATION (JP) 2012-07-17 — — US disclosed
US-20110021763-A1 AZO PIGMENTS, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE AZO PIGMENT FUJIFILM CORPORATION (JP) 2011-01-27 — — US disclosed
US-20100240812-A1 OIL-BASED INKJET RECORDING INK FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
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