SCHEMBL7794885

SCHEMBL7794885

COc1ccc(OC(C)C2CCCCN2)c2c1-c1c(OC(C)C3CCCCN3)cccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
DUSP3 P51452 1/20 0.46
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
FGB P02675 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA2A P29274 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL7786168 0.97 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL7794957 0.94 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL7792225 0.91 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL7795758 0.89 SLC6A3 (0.38) ALDH1A1TDP1SLC6A3SLC6A2SLC6A4
SCHEMBL7786366 0.88 TTR (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7796354 0.88 SLC6A3 (0.37) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL7792711 0.86 HTR2A (0.38) SLC6A3SLC6A2SLC6A4
SCHEMBL7792062 0.85 SLC6A2 (0.41) MEN1KMT2AALDH1A1SLC6A3SLC6A2
SCHEMBL7795698 0.85 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SLC6A3SLC6A2
SCHEMBL7786218 0.85 PDCD1LG2 (0.36) MEN1KMT2AMAPTALDH1A1RAB9A

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