SCHEMBL7016279

SCHEMBL7016279

COc1ccc(C(=O)c2ccc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.65
TP53 P04637 2/20 0.65
LMNA P02545 2/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.62
ADORA2B P29275 3/20 0.62
ABCC8 Q09428 1/20 0.61
KCNJ11 Q14654 1/20 0.61
HTT P42858 2/20 0.59
UBE2N P61088 2/20 0.59
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CASP1 P29466 1/20 0.53
MAPT P10636 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
SCHEMBL12604441 0.92 RXFP1 (0.74) RXFP1TP53LMNAMAPK1SMN1; SMN2
SCHEMBL7011108 0.88 LMNA (0.84) RXFP1TP53LMNAMAPK1SMN1; SMN2
SCHEMBL7018070 0.88 LMNA (0.68) RXFP1TP53LMNAMAPK1SMN1; SMN2
SCHEMBL7011204 0.88 LMNA (0.68) RXFP1TP53LMNAMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7019827 0.87 LMNA (0.82) RXFP1TP53LMNAMAPK1SMN1; SMN2
SCHEMBL7017901 0.87 LMNA (0.67) RXFP1TP53LMNAMAPK1SMN1; SMN2
SCHEMBL7011398 0.87 LMNA (0.67) RXFP1TP53LMNAMAPK1SMN1; SMN2
SCHEMBL20561102 0.85 RXFP1 (0.70) RXFP1TP53LMNAMAPK1SMN1; SMN2
SCHEMBL29256880 0.84 ADORA2B (0.74) RXFP1TP53LMNAMAPK1SMN1; SMN2
SCHEMBL7014131 0.84 ABCC8 (0.70) RXFP1TP53LMNAMAPK1SMN1; SMN2

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