SCHEMBL6074684

SCHEMBL6074684

NC(=O)Nc1scc(-c2ccccc2OC2CCOC2)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
PDE4D Q08499 9/20 0.37
PDE4A P27815 7/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
GALR3 O60755 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NR2F2 P24468 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.35
GRM5 P41594 2/20 0.35
ATR Q13535 3/20 0.34

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
SCHEMBL6708191 0.81 MAPT (0.41) ALDH1A1LMNAHTTSMN1; SMN2CHEK1
SCHEMBL1929068 0.79 IKBKB (0.49) KAT2BBAZ2BCHEK1
SCHEMBL1928617 0.79 IKBKB (0.49) KAT2BBAZ2BCHEK1
SCHEMBL1928622 0.79 IKBKB (0.49) KAT2BBAZ2BCHEK1
SCHEMBL3441348 0.71 KAT2B (0.58) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL1811110 0.67 KAT2B (0.63) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL1811109 0.67 KAT2B (0.63) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL2354093 0.66 PDE4D (0.48) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL2354086 0.66 PDE4D (0.48) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL6818987 0.65 NPC1 (0.47) PDE4DPDE4APDE4BPDE4CALDH1A1

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-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed