SCHEMBL11399596

SCHEMBL11399596

CCCCCn1cnc2c1c(=O)[nH]c(=O)n2CCCC

nearest known ligand 0.95

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.95
KMT2A Q03164 2/20 0.95
ALDH1A1 P00352 1/20 0.95
ADORA2A P29274 7/20 0.87
PDE4A P27815 6/20 0.87
PDE4B Q07343 6/20 0.87
PDE4C Q08493 6/20 0.87
PDE4D Q08499 6/20 0.87
BRD4 O60885 4/20 0.82
BRD2 P25440 2/20 0.82
BRD3 Q15059 2/20 0.82
BRDT Q58F21 2/20 0.82
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
ADORA2B P29275 1/20 0.50
CNOT7 Q9UIV1 1/20 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
SCHEMBL7457891 0.97 MEN1 (1.00) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL7031729 0.90 MEN1 (0.87) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL19066317 0.90 BRD4 (1.00) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL11394726 0.89 MEN1 (0.80) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL11395669 0.88 MEN1 (0.78) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL11399416 0.88 MEN1 (0.78) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL11401591 0.88 MEN1 (0.81) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL27552709 0.87 MEN1 (0.73) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL1713301 0.86 MEN1 (0.71) MEN1KMT2AALDH1A1ADORA2APDE4A
SCHEMBL25286006 0.86 ALDH1A1 (0.71) MEN1KMT2AALDH1A1ADORA2APDE4A

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-4289776-A VASODILATORS, FIBRINOLYTIC HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed