SCHEMBL6559535

SCHEMBL6559535

Cc1ccc2c(c1)C(=NO)CC(C)(C)O2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.49
ALDH1A1 P00352 10/20 0.49
MAPT P10636 9/20 0.49
GAA P10253 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
TDP1 Q9NUW8 5/20 0.46
LMNA P02545 5/20 0.46
ALOX12 P18054 3/20 0.46
ATM Q13315 3/20 0.43
RAD52 P43351 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL6559530 1.00 KDM4E (0.49) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL17027046 0.88 KDM4E (0.44) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL17027048 0.88 KDM4E (0.44) KDM4EALDH1A1MAPTGAAMEN1
Limnazine SCHEMBL2984611 0.87 KDM4E (0.48) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL20409324 0.86 KDM4E (0.45) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL6561063 0.83 MAPT (0.43) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL6561065 0.83 MAPT (0.43) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL6558711 0.81 ALDH1A1 (0.40) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL6558716 0.81 ALDH1A1 (0.40) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL6559505 0.81 KDM4E (0.61) KDM4EALDH1A1MAPTGAAMEN1

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