SCHEMBL1989976

SCHEMBL1989976

CCCCCn1c(C(=O)O)cnc1N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.41
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
ADORA2B P29275 1/20 0.38
GRK6 P43250 1/20 0.36

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
SCHEMBL19175805 0.72 CYP1A2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23812466 0.71 TLR7 (0.49) TLR8ADORA2B
SCHEMBL22560057 0.71 TDP1 (0.65) TLR8
SCHEMBL28271153 0.70 L3MBTL1 (0.41) ADORA2B
SCHEMBL4201281 0.68 CCR9 (0.39)
SCHEMBL23937727 0.68 HSD17B3 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6701818 0.68 TDP1 (0.39) TLR8ADORA2B
SCHEMBL9482657 0.68 KDM6B (0.44) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL7734161 0.67 TLR8 (0.42) TLR8
SCHEMBL28510037 0.66 CNR2 (0.38) ADORA2B

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
EP-2336141-A2 Phosphoramidate alkylator prodrugs Threshold Pharmaceuticals, Inc. (US) 2011-06-22 EP disclosed