SCHEMBL7795910

SCHEMBL7795910

O=C1c2cccc(OCN3CCCC3)c2-c2cccc(OCN3CCCC3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
TERT O14746 2/20 0.42
EGFR P00533 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAF1 P04049 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K1 Q02750 1/20 0.42
ABCB1 P08183 3/20 0.40
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
TTR P02766 1/20 0.39
TRPM2 O94759 1/20 0.38
PARP1 P09874 1/20 0.38
PIM1 P11309 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7796295 0.98 TERT (0.44) KCNA3TERTEGFRALDH1A1L3MBTL1
SCHEMBL7796098 0.87 L3MBTL1 (0.46) KCNA3TERTALDH1A1L3MBTL1MAPT
SCHEMBL7786224 0.85 KDM4E (0.53) KCNA3ALDH1A1L3MBTL1TRPM2PARP1
SCHEMBL7795762 0.84 KDM4E (0.55) TERTALDH1A1L3MBTL1TRPM2PARP1
SCHEMBL7796438 0.83 TRPM2 (0.57) KCNA3ALDH1A1L3MBTL1TRPM2PARP1
SCHEMBL7786544 0.83 ALDH1A1 (0.56) KCNA3ALDH1A1L3MBTL1TRPM2PARP1
SCHEMBL7795916 0.83 ADORA2A (0.51) KCNA3EGFRALDH1A1L3MBTL1RAF1
SCHEMBL7786369 0.82 TRPM2 (0.59) KCNA3ALDH1A1L3MBTL1TRPM2PARP1
SCHEMBL7786073 0.82 ADORA2A (0.53) KCNA3EGFRALDH1A1L3MBTL1RAF1
SCHEMBL7792617 0.76 KCNA3 (0.43) KCNA3EGFRALDH1A1L3MBTL1RAF1

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