SCHEMBL13183855

SCHEMBL13183855

CCCCc1nn(-c2cc(-n3nc(CCCC)c(/N=N/c4c(C(=O)O)cnn4C)c3N)ncn2)c(N)c1/N=N/c1c(C(N)=O)cnn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ GABRP O00591 3/20 0.37
▸ GABRD O14764 3/20 0.37
▸ GABRA1 P14867 3/20 0.37
▸ GABRB1 P18505 3/20 0.37
▸ GABRG2 P18507 3/20 0.37
▸ GABRB3 P28472 3/20 0.37
▸ GABRA5 P31644 3/20 0.37
▸ GABRA3 P34903 3/20 0.37
▸ GABRA2 P47869 3/20 0.37
▸ GABRB2 P47870 3/20 0.37
▸ GABRA4 P48169 3/20 0.37
▸ GABRE P78334 3/20 0.37
▸ GABRA6 Q16445 3/20 0.37
▸ GABRG1 Q8N1C3 3/20 0.37
▸ GABRG3 Q99928 3/20 0.37
▸ GABRQ Q9UN88 3/20 0.37
▸ MAPT P10636 3/20 0.34
▸ CYP1A2 P05177 1/20 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
SCHEMBL10332091 0.96 GABRP (0.39) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL9974652 0.96 NPC1 (0.37) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL12838051 0.91 NPC1 (0.34) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL9974655 0.91 NPC1 (0.40) NPC1RAB9AMAPTCYP1A2CYP2C19
SCHEMBL9974653 0.89 MAPT (0.34) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL13183853 0.88 GABRP (0.34) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL9974649 0.87 MAPT (0.33) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL10456879 0.87 NPC1 (0.42) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL13183216 0.87 MAPT (0.36) NPC1RAB9AGABRPGABRDGABRA1
SCHEMBL9974648 0.87 MAPT (0.33) NPC1RAB9AGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100221506-A1 RADIATION-CURABLE INK COMPOSITION FOR INKJET RECORDING,INKJET RECORDING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2010-09-02 — — US disclosed
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