SCHEMBL808034

SCHEMBL808034

C=C(/N=C(N)\N=C(/N)c1noc(C2CCN(S(=O)(=O)C(C)C)C2)n1)N(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
APEX1 P27695 1/20 0.35
LMNA P02545 7/20 0.33
HSD17B10 Q99714 2/20 0.33
ADRB2 P07550 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
TSHR P16473 4/20 0.31
RAB9A P51151 3/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
JAK2 O60674 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
SCHEMBL10286916 0.95 ALDH1A1 (0.38) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL808022 0.88 LMNA (0.35) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL10286918 0.87 GAA (0.39) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL808223 0.87 LMNA (0.43) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL808048 0.87 LMNA (0.36) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL10286917 0.84 GRM5 (0.41) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL807935 0.83 SMN1; SMN2 (0.41) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL807956 0.83 PRCP (0.35) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL10287788 0.80 LMNA (0.38) GAAALDH1A1MAPTCYP2C9LMNA
SCHEMBL808032 0.75 DHFR (0.34)

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-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed