SCHEMBL28405286

SCHEMBL28405286

Cn1ncc(C(N)=O)c1OC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.37
RIPK2 O43353 1/20 0.36
TLR8 Q9NR97 2/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
HSD11B1 P28845 1/20 0.33
TYK2 P29597 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.31
MAP2K1 Q02750 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
PARP1 P09874 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
SCHEMBL26404933 0.84 NNMT (0.45) NNMTRIPK2TLR8ALDH1A1POLB
SCHEMBL1831743 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29153863 0.79 MEN1 (0.37) POLBSMN1; SMN2LMNA
SCHEMBL20774866 0.79 P2RX7 (0.31)
SCHEMBL1992512 0.76 RIPK2 (0.39) NNMTRIPK2TLR8ALDH1A1POLB
SCHEMBL5204576 0.75 TSHR (0.44) NNMTRIPK2TLR8ALDH1A1POLB
SCHEMBL28889856 0.75 F2 (0.41) ALDH1A1POLBTSHRSMN1; SMN2LMNA
SCHEMBL174225 0.73 RIPK2 (0.51) RIPK2TLR8ALDH1A1POLBSIRT3
SCHEMBL6397435 0.73 SMN1; SMN2 (0.49) NNMTRIPK2TLR8ALDH1A1POLB
SCHEMBL17397802 0.72 RIPK2 (0.39) NNMTRIPK2TLR8ALDH1A1POLB

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
CN-107787324-B Process for preparing carbamoylaminopyrazole derivatives 桑多斯股份公司 2020-05-19 CN disclosed