SCHEMBL3399711

SCHEMBL3399711

COc1ccc(CCNc2nccc(-c3cccc(NC(=O)CC(C)NC(=O)O)c3)n2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CCNT1 O60563 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK9 P50750 1/20 0.49
MAP2K7 O14733 1/20 0.46
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
PTGDR Q13258 1/20 0.44
LMNA P02545 4/20 0.44
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 4/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL12947716 0.90 MAPT (0.50) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL12947717 0.90 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL958384 0.89 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL12947674 0.88 MAPT (0.52) MAPTALDH1A1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL959432 0.88 MAPT (0.51) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3402478 0.86 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL12947675 0.86 MAPT (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL964198 0.86 MAPT (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL958759 0.86 MAPT (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL960344 0.86 MAPT (0.48) MAPTALDH1A1MAPK1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed