SCHEMBL6558700

SCHEMBL6558700

CC1(C)CC(=NO)c2cc(Cl)c(Cl)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 9/20 0.39
AKR1B1 P15121 1/20 0.37
MAPT P10636 9/20 0.36
TDP1 Q9NUW8 5/20 0.34
MEN1 O00255 6/20 0.33
GAA P10253 6/20 0.33
KMT2A Q03164 6/20 0.33
MAOB P27338 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAD52 P43351 1/20 0.33
LMNA P02545 5/20 0.33
ALOX12 P18054 3/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6558695 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EAKR1B1MAPTTDP1
SCHEMBL6560861 0.88 ALDH1A1 (0.37) ALDH1A1KDM4EAKR1B1MAPTTDP1
SCHEMBL6560858 0.88 ALDH1A1 (0.37) ALDH1A1KDM4EAKR1B1MAPTTDP1
SCHEMBL6558711 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL6558716 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL18572726 0.79 CCNC (0.40) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL6561082 0.78 KDM4E (0.50) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL6561081 0.78 KDM4E (0.50) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL16335511 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL16335513 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTTDP1MEN1

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 3 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
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US 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