SCHEMBL7795930

SCHEMBL7795930

CCOc1cc(OCC)c2c(c1N)C(=O)c1cccc(OCCN3CCOCC3)c1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
BRCA1 P38398 1/20 0.44
HBB P68871 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
BRD4 O60885 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
MAOB P27338 1/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL7794702 1.00 KDM4E (0.46) KDM4EHTTALDH1A1MEN1USP2
SCHEMBL7792051 0.97 KDM4E (0.44) KDM4EHTTALDH1A1MEN1USP2
SCHEMBL7786497 0.97 KDM4E (0.44) KDM4EHTTALDH1A1MEN1USP2
SCHEMBL7794793 0.96 HTR2C (0.46) KDM4EHTTALDH1A1MEN1USP2
SCHEMBL7786149 0.95 HTR2C (0.47) KDM4EHTTALDH1A1MEN1USP2
SCHEMBL7794711 0.95 KDM4E (0.47) KDM4EHTTALDH1A1USP2FLT3
SCHEMBL7786118 0.94 KDM4E (0.46) KDM4EKMT2ABRD4ADORA2AADORA1
SCHEMBL7792297 0.94 KDM4E (0.46) KDM4EKMT2ABRD4ADORA2AADORA1
SCHEMBL7792725 0.93 KDM4E (0.45) KDM4EALDH1A1USP2BRD4ADORA2A
SCHEMBL7796105 0.92 HTR2C (0.48) KDM4EALDH1A1BRD4ADORA2AADORA1

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