SCHEMBL7013136

SCHEMBL7013136

CCCn1c(=O)c2c(ncn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n(C)c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
MAPK1 P28482 2/20 0.65
POLB P06746 1/20 0.57
HIF1A Q16665 1/20 0.57
PDE4A P27815 7/20 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
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
UBE2N P61088 2/20 0.52
ADORA2B P29275 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ABCC8 Q09428 1/20 0.51
KCNJ11 Q14654 1/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL7015175 0.94 LMNA (0.62) LMNAMAPK1POLBHIF1APDE4A
SCHEMBL7015993 0.93 LMNA (0.66) LMNAMAPK1POLBHIF1APDE4A
SCHEMBL7018390 0.93 LMNA (0.69) LMNAMAPK1POLBHIF1AMAPT
SCHEMBL7012058 0.90 LMNA (0.65) LMNAMAPK1POLBHIF1ASMN1; SMN2
SCHEMBL7011108 0.88 LMNA (0.84) LMNAMAPK1POLBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7019827 0.87 LMNA (0.82) LMNAMAPK1POLBMAPTSMN1; SMN2
SCHEMBL7015123 0.84 LMNA (0.66) LMNAMAPK1POLBHIF1ASMN1; SMN2
SCHEMBL7015950 0.84 MAPK1 (0.56) LMNAMAPK1POLBHIF1APDE4A
SCHEMBL8645652 0.83 LMNA (0.45) LMNAMAPK1POLBHIF1APDE4A
SCHEMBL30149464 0.83 LMNA (0.70) 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