SCHEMBL28060229

SCHEMBL28060229

CC1=C(N)C(C)(C)N(C)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
MCL1 Q07820 2/20 0.37
PAX8 Q06710 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 3/20 0.33
USP2 O75604 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 4/20 0.32
HPGD P15428 2/20 0.32
TTR P02766 1/20 0.32
CES1 P23141 1/20 0.32
NSD2 O96028 1/20 0.32
APP P05067 1/20 0.32
SNCA P37840 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL17275723 0.71 ALDH1A1 (0.50) GAAALDH1A1LMNAMCL1PAX8
SCHEMBL8911633 0.71 LMNA (0.41) GAAALDH1A1LMNAMCL1PAX8
SCHEMBL15907068 0.69 ALDH1A1 (0.39) GAAALDH1A1LMNAMCL1PAX8
SCHEMBL11882604 0.66 TTR (0.52) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL2393621 0.65 LMNA (0.57) GAAALDH1A1LMNAMCL1PAX8
SCHEMBL29565250 0.64 ALDH1A1 (0.47) GAAALDH1A1LMNAMCL1PAX8
SCHEMBL31395894 0.62 ALDH1A1 (0.39) GAAALDH1A1LMNAMCL1PAX8
SCHEMBL2393560 0.62 ALDH1A1 (0.39) GAAALDH1A1LMNAMCL1PAX8
SCHEMBL20618813 0.60 ALDH1A1 (0.47) GAAALDH1A1LMNAMCL1PAX8
SCHEMBL21726115 0.60 MAPT (0.40) GAAALDH1A1LMNAMCL1PAX8

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
CN-105395550-B Contain 2 with substituted oxy, the glucocorticoid receptor agonist of 2,4- trimethyl -6- phenyl -1,2- dihydroquindine derivates 步制药股份有限公司 2018-07-17 CN disclosed
CN-105395550-A GLUCOCORTICOID RECEPTOR AGONIST COMPOSED OF 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED OXY GROUP SANTEN PHARMACEUTICAL CO LTD 2016-03-16 CN disclosed