SCHEMBL11645874

SCHEMBL11645874

COC(=O)n1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
ADORA2B P29275 7/20 0.57
PIK3CD O00329 1/20 0.57
POLB P06746 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CNR1 P21554 1/20 0.57
ACHE P22303 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
NTSR1 P30989 1/20 0.57
MC3R P41968 1/20 0.57
NOTUM Q6P988 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
GDA Q9Y2T3 1/20 0.57
NR2E1 Q9Y466 1/20 0.57
LMNA P02545 2/20 0.52
ALOX15 P16050 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 3/20 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
SCHEMBL11702678 0.84 ADORA2B (0.64) SMN1; SMN2ADORA2BPIK3CDPOLBADORA3
SCHEMBL5471122 0.83 ADORA2B (0.62) SMN1; SMN2ADORA2BPIK3CDPOLBADORA3
SCHEMBL7020240 0.83 ADORA2B (0.62) SMN1; SMN2ADORA2BPIK3CDPOLBADORA3
SCHEMBL11635125 0.80 ADORA2B (0.58) SMN1; SMN2ADORA2BPIK3CDPOLBADORA3
SCHEMBL11702913 0.80 ADORA2B (0.58) SMN1; SMN2ADORA2BPIK3CDPOLBADORA3
SCHEMBL11702624 0.79 ADORA2B (0.57) SMN1; SMN2ADORA2BPIK3CDPOLBADORA3
SCHEMBL11632640 0.79 ADORA2B (0.57) SMN1; SMN2ADORA2BPIK3CDPOLBADORA3
SCHEMBL684080 0.79 ADORA2B (0.57) SMN1; SMN2ADORA2BPIK3CDPOLBADORA3
SCHEMBL11641580 0.79 PDE4A (0.44) SMN1; SMN2ADORA2BADORA2ALMNAMEN1
SCHEMBL11430962 0.78 ADORA2B (0.56) SMN1; SMN2ADORA2BPIK3CDPOLBADORA3

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-4120947-A Xanthine compounds and method of treating bronchospastic and allergic diseases COOPER LABORATORIES, INC. (US) 1978-10-17 US disclosed