SCHEMBL7796436

SCHEMBL7796436

CCOc1cc(OCC)c2c(c1N)C(=O)c1cccc(OCCCN(CC)CC)c1-2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
KCNA3 P22001 1/20 0.39
FLT3 P36888 3/20 0.39
P2RY2 P41231 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TERT O14746 1/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL7794771 1.00 TTR (0.42) TTRKCNA3FLT3P2RY2ALDH1A1
SCHEMBL7794675 0.94 TTR (0.42) TTRKCNA3P2RY2ALDH1A1KDM4E
SCHEMBL7786304 0.94 TTR (0.42) TTRKCNA3P2RY2ALDH1A1KDM4E
SCHEMBL7795946 0.94 CYP1A2 (0.41) KCNA3FLT3ALDH1A1KDM4ETDP1
SCHEMBL7791883 0.94 CYP1A2 (0.41) KCNA3FLT3ALDH1A1KDM4ETDP1
SCHEMBL7796600 0.94 CYP1A2 (0.40) KCNA3FLT3ALDH1A1
SCHEMBL7792181 0.93 CYP1A2 (0.41) TTRKCNA3P2RY2MAOB
SCHEMBL7786318 0.92 CYP1A2 (0.42) TTRP2RY2ALDH1A1KDM4EMAOB
SCHEMBL7796590 0.92 CYP1A2 (0.42) TTRP2RY2ALDH1A1KDM4EMAOB
SCHEMBL7792112 0.91 ALDH1A1 (0.46) KCNA3FLT3ALDH1A1MAOB

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 2 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