SCHEMBL7011108

SCHEMBL7011108

Cn1c(=O)c2c(ncn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n(C)c1=O

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.84
MAPK1 P28482 2/20 0.84
ADORA2B P29275 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
HTT P42858 2/20 0.66
UBE2N P61088 2/20 0.66
RXFP1 Q9HBX9 2/20 0.66
ABCC8 Q09428 1/20 0.65
KCNJ11 Q14654 1/20 0.65
GLA P06280 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.53
ALDH1A1 P00352 1/20 0.52

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
Hydrochloric Acid SCHEMBL7019827 0.99 LMNA (0.82) LMNAMAPK1ADORA2BSMN1; SMN2HTT
SCHEMBL20561174 0.92 LMNA (1.00) LMNAMAPK1ADORA2BSMN1; SMN2HTT
SCHEMBL7018390 0.91 LMNA (0.69) LMNAMAPK1ADORA2BSMN1; SMN2HTT
SCHEMBL7011204 0.91 LMNA (0.68) LMNAMAPK1ADORA2BSMN1; SMN2HTT
SCHEMBL7018070 0.91 LMNA (0.68) LMNAMAPK1ADORA2BSMN1; SMN2HTT
SCHEMBL7018193 0.91 SMN1; SMN2 (0.72) LMNAMAPK1ADORA2BSMN1; SMN2HTT
SCHEMBL7011398 0.90 LMNA (0.67) LMNAMAPK1ADORA2BSMN1; SMN2HTT
SCHEMBL7017901 0.90 LMNA (0.67) LMNAMAPK1ADORA2BSMN1; SMN2HTT
SCHEMBL7015993 0.89 LMNA (0.66) LMNAMAPK1ADORA2BSMN1; SMN2HTT
SCHEMBL7015123 0.89 LMNA (0.66) LMNAMAPK1ADORA2BSMN1; 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