SCHEMBL7015993

SCHEMBL7015993

CCn1c(=O)c2c(ncn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.66
MAPK1 P28482 2/20 0.66
POLB P06746 3/20 0.55
HIF1A Q16665 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
UBE2N P61088 2/20 0.53
ADORA2B P29275 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TRPA1 O75762 3/20 0.47
MAPT P10636 2/20 0.46
ESR1 P03372 1/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
ACHE P22303 1/20 0.46
PDE4A P27815 1/20 0.46

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
SCHEMBL7018390 0.94 LMNA (0.69) LMNAMAPK1POLBHIF1ASMN1; SMN2
SCHEMBL7013136 0.93 LMNA (0.65) LMNAMAPK1POLBHIF1ASMN1; SMN2
SCHEMBL7015950 0.91 MAPK1 (0.56) LMNAMAPK1POLBHIF1ASMN1; SMN2
SCHEMBL7015175 0.91 LMNA (0.62) LMNAMAPK1POLBHIF1ASMN1; SMN2
SCHEMBL7012058 0.91 LMNA (0.65) LMNAMAPK1POLBHIF1ASMN1; SMN2
SCHEMBL7011108 0.89 LMNA (0.84) LMNAMAPK1POLBSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL7019827 0.88 LMNA (0.82) LMNAMAPK1POLBSMN1; SMN2HTT
SCHEMBL7015123 0.85 LMNA (0.66) LMNAMAPK1POLBHIF1ASMN1; SMN2
SCHEMBL7017662 0.84 MAPK1 (0.56) LMNAMAPK1SMN1; SMN2ADORA2BRXFP1
SCHEMBL8646878 0.83 LMNA (0.46) LMNAMAPK1POLBSMN1; SMN2HTT

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-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed