SCHEMBL7017901

SCHEMBL7017901

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
MAPK1 P28482 2/20 0.67
ADORA2B P29275 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
RXFP1 Q9HBX9 5/20 0.65
ABCC8 Q09428 1/20 0.64
KCNJ11 Q14654 1/20 0.64
HTT P42858 2/20 0.61
UBE2N P61088 2/20 0.61
GLA P06280 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 1/20 0.55
MAPT P10636 1/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 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
SCHEMBL7018070 0.90 LMNA (0.68) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL7011108 0.90 LMNA (0.84) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL7011204 0.90 LMNA (0.68) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
Hydrochloric Acid SCHEMBL7019827 0.89 LMNA (0.82) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL7011398 0.89 LMNA (0.67) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL7014131 0.88 ABCC8 (0.70) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL7016279 0.87 RXFP1 (0.65) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL29256880 0.86 ADORA2B (0.74) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL7016345 0.86 LMNA (0.66) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL17750785 0.85 LMNA (0.89) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1

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