SCHEMBL4688014

SCHEMBL4688014

CC(N)CN.CNC(=O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
TGFBR1 P36897 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL210049 0.80
Hydrochloric Acid SCHEMBL27575069 0.77
Urea SCHEMBL28201319 0.77
Alcohol SCHEMBL11338702 0.75 TGFBR1 (0.38) ALDH1A1TGFBR1KDM4ETDP1
Acetamide SCHEMBL28655115 0.75 ALDH1A1 (0.62) ALDH1A1GABRPGABRDGABRA1GABRB1
Carbamic Acid SCHEMBL11588805 0.75
SCHEMBL10903093 0.72 ALDH1A1 (0.59) ALDH1A1GABRPGABRDGABRA1GABRB1
Bicarbonate SCHEMBL8854028 0.72
Bicarbonate SCHEMBL3833313 0.72 ALDH1A1 (0.67) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL18279775 0.71 TDP1 (0.60) ALDH1A1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676643-B1 Method for manufacturing pattern formed body DAINIPPON PRINTING CO LTD (JP) 2008-08-20 EP disclosed
EP-1676643-A1 Method for manufacturing pattern formed body Dainippon Printing Co., Ltd. (JP) 2006-07-05 EP disclosed