SCHEMBL6556784

SCHEMBL6556784

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP3A4 P08684 4/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 2/20 0.47
SLC2A1 P11166 1/20 0.41
TSHR P16473 4/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SLC6A4 P31645 2/20 0.33

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) ALDH1A1CYP3A4MAPK1TDP1ALOX15
SCHEMBL6558728 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPK1TDP1ALOX15
SCHEMBL6558698 0.81 SLC2A1 (0.41) ALDH1A1CYP3A4MAPK1TDP1ALOX15
SCHEMBL8053600 0.81 SLC2A1 (0.41) ALDH1A1CYP3A4MAPK1TDP1ALOX15
SCHEMBL6556889 0.77 PDE2A (0.42) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL14046263 0.77 ALDH1A1 (0.73) ALDH1A1CYP3A4MAPK1TDP1ALOX15
SCHEMBL6557998 0.76 SLC2A1 (0.46) ALDH1A1CYP3A4MAPK1TDP1ALOX15
SCHEMBL30054040 0.76 MAPT (0.68) ALDH1A1CYP3A4MAPK1TDP1TSHR
SCHEMBL6556764 0.76 MAPT (0.68) ALDH1A1CYP3A4MAPK1TDP1TSHR
SCHEMBL6654808 0.75 KMT2A (0.47) ALDH1A1CYP3A4TP53TSHRMAPT

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