SCHEMBL6560495

SCHEMBL6560495

O=C1CC2(CCCCC2)Oc2ccc(F)cc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
ATM Q13315 3/20 0.69
HTT P42858 1/20 0.69
HSD11B1 P28845 1/20 0.57
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTR2A P28223 1/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC11 Q96DB2 5/20 0.45

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
SCHEMBL6561130 0.98 KDM4E (0.68) KDM4EATMHTTHSD11B1ALDH1A1
SCHEMBL620087 0.95 KDM4E (0.64) KDM4EATMHTTHSD11B1ALDH1A1
SCHEMBL4352974 0.88 KDM4E (0.57) KDM4EATMHTTHSD11B1ALDH1A1
SCHEMBL12030815 0.86 HDAC3 (0.60) KDM4EATMHTTHSD11B1ALDH1A1
SCHEMBL6828090 0.85 HDAC3 (0.57) KDM4EATMHTTHSD11B1HTR2A
Hydrochloric Acid SCHEMBL3491077 0.84 HDAC3 (0.56) KDM4EATMHTTHSD11B1HTR2A
SCHEMBL620216 0.83 KDM4E (0.52) KDM4EATMHTTHSD11B1L3MBTL1
SCHEMBL29920628 0.83 KDM4E (0.52) KDM4EATMHTTHSD11B1L3MBTL1
SCHEMBL4351287 0.82 KDM4E (0.69) KDM4EATMHTTALDH1A1HPGD
SCHEMBL1821870 0.82 KDM4E (0.69) KDM4EATMHTTALDH1A1HPGD

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