SCHEMBL6559034

SCHEMBL6559034

COc1ccccc1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
TSHR P16473 3/20 0.51
TP53 P04637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14594214 0.94 SLC2A1 (0.51) SLC2A1TSHRTP53KDM4EMEN1
SCHEMBL10349727 0.89 SLC2A1 (0.49) SLC2A1TSHRTP53KDM4EMEN1
SCHEMBL9559182 0.84 SLC2A1 (0.61) SLC2A1TSHRTP53KDM4EMEN1
SCHEMBL12955609 0.81 KDM4E (0.44) SLC2A1TSHRTP53KDM4EMEN1
SCHEMBL3039320 0.81 IDO1 (0.58) TSHRTP53MEN1KMT2ACA12
SCHEMBL9658333 0.80 SLC2A1 (0.65) SLC2A1TSHRTP53KDM4EMEN1
SCHEMBL29139801 0.80 SLC2A1 (0.44) SLC2A1TSHRTP53KDM4EMEN1
SCHEMBL10689340 0.80 TP53 (0.42) SLC2A1TSHRTP53KDM4EMEN1
SCHEMBL10489556 0.78 SLC2A1 (0.49) SLC2A1TSHRTP53KDM4EMEN1
SCHEMBL31409217 0.78 ALDH1A1 (0.47) TSHRTP53CA12CA1CA2

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