SCHEMBL6558667

SCHEMBL6558667

CC1(C)C/C(=N\O)c2cc(OCCCC(F)(F)F)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.45
ALDH1A1 P00352 12/20 0.45
GAA P10253 10/20 0.45
HPGD P15428 6/20 0.45
GLA P06280 5/20 0.45
HSD17B10 Q99714 3/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 1/20 0.45
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KCNE1 P15382 3/20 0.43
KCNQ1 P51787 3/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6558676 1.00 KDM4E (0.45) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL7467918 0.87 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL7467920 0.87 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6560822 0.83 KDM4E (0.62) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6559505 0.78 KDM4E (0.61) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6559504 0.78 KDM4E (0.61) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6603109 0.77 MAOB (0.60) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6603113 0.77 MAOB (0.60) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6938486 0.73 KCNE1 (0.57) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL6561065 0.73 MAPT (0.43) KDM4EALDH1A1GAAHPGDGLA

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-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed