SCHEMBL11705458

SCHEMBL11705458

CC(=O)NNc1nc(-c2ccc(C)cc2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.52
ADORA2A P29274 1/20 0.52
NUDT1 P36639 1/20 0.51
KLK7 P49862 1/20 0.48
GAA P10253 5/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
MCL1 Q07820 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CASP1 P29466 1/20 0.43

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
SCHEMBL11711190 0.92 POLB (0.72) POLBKDM4EALDH1A1ADORA2ANUDT1
SCHEMBL11710086 0.86 POLB (0.76) POLBKDM4EALDH1A1KLK7GAA
SCHEMBL11704782 0.80 SMN1; SMN2 (0.56) POLBALDH1A1NUDT1GAAMAPT
SCHEMBL11706420 0.77 MAPT (0.79) POLBKDM4EALDH1A1ADORA2ANUDT1
SCHEMBL11710848 0.77 POLB (1.00) POLBKDM4EALDH1A1GAAMAPT
SCHEMBL11705840 0.77 POLB (0.74) POLBKDM4EALDH1A1KLK7GAA
SCHEMBL1621897 0.76 NPC1 (0.53) POLBKDM4EALDH1A1GAAMAPT
SCHEMBL11707368 0.75 POLB (0.71) POLBKDM4EALDH1A1KLK7GAA
SCHEMBL6701729 0.75 ADORA2A (0.57) POLBKDM4EALDH1A1ADORA2ANUDT1
SCHEMBL11705225 0.74 POLB (0.57) POLBKDM4EALDH1A1NUDT1GAA

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
US-4002755-A Triazoloquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-11 US disclosed