SCHEMBL6558656

SCHEMBL6558656

CC1(C)CC(=NO)c2cc(F)c(N3CCCC3)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 6/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR174 Q9BXC1 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6558648 1.00 TSHR (0.37) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL6559560 0.82 ALDH1A1 (0.49) TSHRALDH1A1KDM4EMAPTGAA
SCHEMBL6560858 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL6560861 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL6558716 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL6558711 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL6561065 0.72 MAPT (0.43) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL6561063 0.72 MAPT (0.43) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL6558695 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL6558700 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMEN1LMNA

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