SCHEMBL7796428

SCHEMBL7796428

O=C1c2ccc(OCN3CCOCC3)cc2-c2c(OCN3CCOCC3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK14 Q16539 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
KCNA3 P22001 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL7795916 0.89 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL7786073 0.88 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BL3MBTL1
SCHEMBL7786488 0.86 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL7795792 0.85 USP2 (0.51) ADORA2AADORA1ADORA3ADORA2BMAPK14
SCHEMBL7792473 0.84 ALDH1A1 (0.54) ADORA2AADORA1ADORA3ADORA2BSMN1; SMN2
SCHEMBL7796098 0.84 L3MBTL1 (0.46) ADORA2AADORA1L3MBTL1MEN1NPC1
SCHEMBL7792021 0.78 KDM4E (0.52) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL7791807 0.78 ALDH1A1 (0.57) MAPK14SMN1; SMN2MAPK1ALDH1A1
SCHEMBL7786125 0.78 MAPK1 (0.51) ADORA2AADORA1ADORA3ADORA2BNPC1
SCHEMBL7796341 0.78 MAPK14 (0.50) ADORA2AADORA1ADORA3ADORA2BNPC1

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
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed