SCHEMBL6558698

SCHEMBL6558698

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
ALDH1A1 P00352 7/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
S1PR1 P21453 1/20 0.38
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APP P05067 3/20 0.35
GAA P10253 2/20 0.34
PYCR1 P32322 1/20 0.34
NPC1 O15118 1/20 0.34

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 0.86 SLC2A1 (0.46) SLC2A1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL6558728 0.83 ALDH1A1 (0.43) SLC2A1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL6556784 0.81 ALDH1A1 (0.47) SLC2A1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL8053600 0.81 SLC2A1 (0.41) SLC2A1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL6556889 0.77 PDE2A (0.42) SLC2A1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL6557998 0.76 SLC2A1 (0.46) SLC2A1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL6556764 0.76 MAPT (0.68) ALDH1A1MAPTTSHRCYP1A2CYP3A4
SCHEMBL30054040 0.76 MAPT (0.68) ALDH1A1MAPTTSHRCYP1A2CYP3A4
SCHEMBL6556691 0.73 SLC2A1 (0.43) SLC2A1ALDH1A1MAPTTSHRCYP1A2
SCHEMBL6558665 0.73 KMT2A (0.50) SLC2A1ALDH1A1MAPTTSHRCYP1A2

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