SCHEMBL11823628

SCHEMBL11823628

Cn1c(=O)c2c(ncn2CCC(Oc2ccc(Cl)cc2)C(=O)Oc2ccc(Cl)cc2)n(C)c1=O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
MAPK1 P28482 2/20 0.55
ADORA2B P29275 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
RXFP1 Q9HBX9 4/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.49

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
Theofibrate SCHEMBL3960649 0.74 ADORA2B (0.60) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
Theofibrate SCHEMBL49272 0.74 ADORA2B (0.60) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL10963455 0.72 LMNA (0.60) LMNAMAPK1SMN1; SMN2RXFP1POLB
SCHEMBL20561174 0.72 LMNA (1.00) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
Acefylline Clofibrol SCHEMBL2110473 0.72 MAPK1 (0.61) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL18399526 0.71 ADORA2B (0.68) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL11823636 0.71 LMNA (0.45) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL7011108 0.70 LMNA (0.84) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
SCHEMBL16120984 0.70 ADORA2B (0.81) LMNAMAPK1ADORA2BSMN1; SMN2RXFP1
Hydrochloric Acid SCHEMBL7019827 0.70 LMNA (0.82) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3984413-A ANTILIPEMIC, ANTICHOLESTEROLEMIC; PERIPHERAL AND VASOLIDATIVE EFFECT L. MERCKLE KG (DT) 1976-10-05 US disclosed