SCHEMBL7015175

SCHEMBL7015175

CCCCn1c(=O)c2c(ncn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
MAPK1 P28482 2/20 0.62
POLB P06746 1/20 0.55
HIF1A Q16665 1/20 0.55
PDE4A P27815 2/20 0.53
MAPT P10636 2/20 0.53
ESR1 P03372 1/20 0.53
CYP1A2 P05177 1/20 0.53
NFKB1 P19838 1/20 0.53
ACHE P22303 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
ADORA2B P29275 2/20 0.52
ADORA2A P29274 2/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
UBE2N P61088 2/20 0.50

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
SCHEMBL7013136 0.94 LMNA (0.65) LMNAMAPK1POLBHIF1APDE4A
SCHEMBL7015993 0.91 LMNA (0.66) LMNAMAPK1POLBHIF1APDE4A
SCHEMBL7018390 0.91 LMNA (0.69) LMNAMAPK1POLBHIF1AMAPT
SCHEMBL7012058 0.88 LMNA (0.65) LMNAMAPK1POLBHIF1AADORA2B
SCHEMBL7011108 0.86 LMNA (0.84) LMNAMAPK1POLBMAPTADORA2B
SCHEMBL30149464 0.85 LMNA (0.70) LMNAMAPK1POLBHIF1APDE4A
Hydrochloric Acid SCHEMBL7019827 0.85 LMNA (0.82) LMNAMAPK1POLBMAPTADORA2B
SCHEMBL8642085 0.84 LMNA (0.43) LMNAMAPK1PDE4AMAPTESR1
SCHEMBL7015123 0.82 LMNA (0.66) LMNAMAPK1POLBHIF1AADORA2B
SCHEMBL7015950 0.82 MAPK1 (0.56) LMNAMAPK1POLBHIF1APDE4A

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