SCHEMBL7794711

SCHEMBL7794711

CCOc1cc(OCCCN2CCOCC2)c(N)c2c1-c1c(OCCCN3CCOCC3)cccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.47
CHEK1 O14757 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
FLT3 P36888 4/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
MAPK1 P28482 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SCN3A Q9NY46 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 0.95 KDM4E (0.46) KDM4EALDH1A1HTTUSP2FLT3
SCHEMBL7795930 0.95 KDM4E (0.46) KDM4EALDH1A1HTTUSP2FLT3
SCHEMBL7794778 0.94 MAPK1 (0.50) KDM4EALDH1A1HTTUSP2CYP2D6
SCHEMBL7794708 0.94 USP2 (0.47) KDM4EALDH1A1HTTUSP2CYP2D6
SCHEMBL7786497 0.92 KDM4E (0.44) KDM4EALDH1A1HTTUSP2TSHR
SCHEMBL7792051 0.92 KDM4E (0.44) KDM4EALDH1A1HTTUSP2TSHR
SCHEMBL7794776 0.92 TSHR (0.55) KDM4EALDH1A1USP2CYP2D6TSHR
SCHEMBL7794793 0.92 HTR2C (0.46) KDM4EALDH1A1HTTUSP2CYP2D6
SCHEMBL7794786 0.91 ALDH1A1 (0.52) KDM4EALDH1A1HTTCYP2D6TSHR
SCHEMBL7786149 0.90 HTR2C (0.47) KDM4EALDH1A1HTTUSP2CYP2D6

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