SCHEMBL21393838

SCHEMBL21393838

CCCOC(=O)c1c(C)ncnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GRM6 O15303 1/20 0.43
ADORA3 P0DMS8 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
KDM4E B2RXH2 3/20 0.42

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
SCHEMBL20187440 0.89 KDM4E (0.51) MAPTKDM4EHSD17B10TP53RAB9A
SCHEMBL28936237 0.80 ALDH1A1 (0.53) MAPTKDM4EHSD17B10TP53RAB9A
SCHEMBL16712807 0.78 ALDH1A1 (0.44) MAPTGRM6KDM4EHSD17B10LMNA
SCHEMBL3676351 0.76 PDE4D (0.53) MAPTADORA3KDM4EHSD17B10TP53
SCHEMBL17347504 0.72 KDM4E (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11004733 0.71 ALDH1A1 (0.58) MAPTGRM6ADORA3KDM4ETP53
SCHEMBL3106172 0.70 CA12 (0.50) MAPTADORA3KDM4ERAB9ALMNA
SCHEMBL4169404 0.70 ALDH1A1 (0.45) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL11568280 0.70 MAPT (0.49) MAPTGRM6ADORA3GABRPGABRD
SCHEMBL20376476 0.69 PDE4D (0.46) MAPTADORA3KDM4EHSD17B10TP53

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
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed