SCHEMBL11001216

SCHEMBL11001216

Cc1nc2c(CCc3ccsc3)nccn2c1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.47
ATP4B P51164 4/20 0.47
TAAR1 Q96RJ0 1/20 0.36
PABPC1 P11940 2/20 0.35
FLT3 P36888 1/20 0.34
ADORA2A P29274 3/20 0.33
TNK2 Q07912 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
P2RX4 Q99571 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90B1 P14625 1/20 0.31
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL11008514 0.80 ATP4A (0.49) ATP4AATP4BTAAR1ADORA3
SCHEMBL2193489 0.75 ATP4A (0.47) ATP4AATP4BTAAR1ADORA2ADRD2
SCHEMBL2193255 0.73 ATP4A (0.72) ATP4AATP4B
SCHEMBL11105784 0.72 ATP4A (0.41) ATP4AATP4BTAAR1PABPC1ADORA2A
SCHEMBL11004273 0.72 ATP4A (0.41) ATP4AATP4BTNK2CCNE1CDK2
SCHEMBL11004276 0.72 ATP4A (0.41) ATP4AATP4BTNK2CCNE1CDK2
SCHEMBL10922950 0.72 ATP4A (0.46) ATP4AATP4BFLT3ADORA2AADORA3
SCHEMBL2192969 0.64 ATP4A (1.00) ATP4AATP4BCDK2
SCHEMBL11004320 0.63 ATP4A (0.43) ATP4AATP4B
Hydrochloric Acid SCHEMBL2192249 0.63 ATP4A (0.97) ATP4AATP4BCDK2

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-4507294-A TREATMENT OF PEPTIC ULCERS SCHERING CORP. (US) 1985-03-26 US disclosed