SCHEMBL9295439

SCHEMBL9295439

Cn1c(=O)c2c(ncn2CCC(=O)NCCN)n(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.70
▸ LMNA P02545 2/20 0.59
▸ RXFP1 Q9HBX9 5/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ KMT2A Q03164 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ MAPT P10636 1/20 0.55
▸ PDE4A P27815 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52

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
SCHEMBL4516866 0.83 ADORA2B (1.00) ADORA2BLMNARXFP1MAPK1SMN1; SMN2
SCHEMBL12260543 0.82 RXFP1 (0.69) ADORA2BLMNARXFP1MAPK1TP53
SCHEMBL12260309 0.81 ADORA2B (0.56) ADORA2BLMNARXFP1MAPK1TP53
SCHEMBL5462777 0.81 RXFP1 (0.78) ADORA2BLMNARXFP1MAPK1TP53
SCHEMBL11205608 0.81 PDE4A (0.74) ADORA2BLMNARXFP1MAPK1SMN1; SMN2
SCHEMBL9296212 0.79 ADORA2B (0.76) ADORA2BLMNARXFP1MAPK1KMT2A
SCHEMBL10967382 0.79 MAPK1 (0.82) ADORA2BLMNARXFP1MAPK1SMN1; SMN2
SCHEMBL17744968 0.79 RXFP1 (0.75) ADORA2BLMNARXFP1MAPK1TP53
SCHEMBL3860920 0.79 SMN1; SMN2 (0.78) ADORA2BLMNARXFP1MAPK1TP53
SCHEMBL18166633 0.78 RXFP1 (0.56) ADORA2BLMNARXFP1MAPK1TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304645-A Colored or fluorescent labels BOEHRINGER MANNHEIM GMBH (DE) 1994-04-19 — — US disclosed
US-4954630-A COLORIMETRIC OR FLUORESCENT ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 — — US disclosed
EP-0209875-B1 RESORUFIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION Roche Diagnostics GmbH (DE) 1990-08-29 — — EP disclosed
EP-0209875-A1 Resorufin derivatives and process for their preparation Roche Diagnostics GmbH (DE) 1987-01-28 — — EP disclosed
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