SCHEMBL6558716

SCHEMBL6558716

Cc1cc2c(cc1C)C(=NO)CC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.40
KDM4E B2RXH2 12/20 0.40
MAPT P10636 9/20 0.39
GAA P10253 8/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
TDP1 Q9NUW8 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 5/20 0.36
ALOX12 P18054 3/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.34
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 3/20 0.30
HPGD P15428 2/20 0.30

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
SCHEMBL6558711 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL16335511 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL16335513 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL6558700 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL6558695 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL6559530 0.81 KDM4E (0.49) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL17027046 0.81 KDM4E (0.44) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL6559535 0.81 KDM4E (0.49) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL17027048 0.81 KDM4E (0.44) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL6561082 0.80 KDM4E (0.50) ALDH1A1KDM4EMAPTGAAMEN1

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