SCHEMBL6567228

SCHEMBL6567228

CC(=O)Cl.COc1ccc2c(c1)C(C)=CC(C)(C)N2C(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
MAPT P10636 9/20 0.65
KDM4E B2RXH2 8/20 0.65
ALOX12 P18054 5/20 0.65
HTT P42858 5/20 0.65
GAA P10253 5/20 0.65
HPGD P15428 4/20 0.65
TDP1 Q9NUW8 3/20 0.65
HSD17B10 Q99714 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.63
MAPK1 P28482 2/20 0.63
THRB P10828 2/20 0.63
TSHR P16473 5/20 0.58
LMNA P02545 4/20 0.57
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 2/20 0.55
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 3/20 0.49

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
SCHEMBL1323562 0.96 MAPT (0.70) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL14406408 0.84 KMT2A (0.64) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL25204645 0.82 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL7044480 0.81 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL7044479 0.81 LMNA (0.56) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL8849533 0.78 LMNA (0.66) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL1323561 0.78 LMNA (0.58) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL2190314 0.77 LMNA (0.64) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL19478438 0.77 LMNA (0.64) ALDH1A1MAPTKDM4EALOX12HTT
SCHEMBL29677278 0.77 LMNA (0.64) ALDH1A1MAPTKDM4EALOX12HTT

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-1406628-A1 TETRAHYDROQUINOLINE DERIVATIVES Akzo Nobel N.V. (NL) 2004-04-14 EP disclosed
WO-2003004028-A1 TETRAHYDROQUINOLINE DERIVATIVES AKZO NOBEL N.V. (NL) 2003-01-16 WO disclosed