SCHEMBL6558728

SCHEMBL6558728

CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
SLC2A1 P11166 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 5/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6557047 0.89 SLC2A1 (0.46) ALDH1A1MAPTSLC2A1HTTKMT2A
SCHEMBL6558665 0.86 KMT2A (0.50) ALDH1A1MAPTSLC2A1HTTKMT2A
SCHEMBL6558698 0.83 SLC2A1 (0.41) ALDH1A1MAPTSLC2A1HTTKMT2A
SCHEMBL8053600 0.83 SLC2A1 (0.41) ALDH1A1MAPTSLC2A1HTTTSHR
SCHEMBL6556784 0.83 ALDH1A1 (0.47) ALDH1A1MAPTSLC2A1HTTKMT2A
SCHEMBL6558704 0.81 SLC2A1 (0.42) ALDH1A1MAPTSLC2A1HTTKMT2A
SCHEMBL6556773 0.81 MAPT (0.62) ALDH1A1MAPTHTTKMT2ATSHR
SCHEMBL6556889 0.80 PDE2A (0.42) ALDH1A1MAPTSLC2A1HTTKMT2A
SCHEMBL5011743 0.79 SLC2A1 (0.59) ALDH1A1MAPTSLC2A1KMT2ATSHR
SCHEMBL6557998 0.79 SLC2A1 (0.46) ALDH1A1MAPTSLC2A1HTTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP claimed
US-6166013-A Glucocortiocoid-selective agents ABBOTT LABORATORIES (US) 2000-12-26 US disclosed