SCHEMBL14548533

SCHEMBL14548533

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ GABRE P78334 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ GABRG1 Q8N1C3 1/20 0.32
▸ GABRG3 Q99928 1/20 0.32
▸ GABRQ Q9UN88 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL14845525 0.95 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9974621 0.95 GABRP (0.30) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10167889 0.88 SLC34A1 (0.32) HPGD
SCHEMBL14845512 0.85 SLC34A1 (0.34) ALDH1A1MAPTHPGD
SCHEMBL9974642 0.84 TP53 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9972785 0.83 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10167753 0.81 NPC1 (0.39) ALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL10454069 0.81 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14845513 0.81 TP53 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12506759 0.81 — —

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-8399545-B2 Azo pigment-containing aqueous ink for inkjet recording FUJIFILM CORPORATION (JP) 2013-03-19 — — US disclosed
Send feedback