SCHEMBL3404449

SCHEMBL3404449

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
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
ABL1 P00519 2/20 0.45
PDGFRB P09619 1/20 0.45
SRC P12931 1/20 0.45
PDGFRA P16234 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
PTGDR Q13258 1/20 0.44
BCR P11274 1/20 0.44

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
SCHEMBL3401681 0.98 MAPT (0.51) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3402478 0.95 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL962930 0.91 MAPT (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL959424 0.90 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL12947863 0.90 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL958021 0.90 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL12947673 0.90 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL958227 0.90 MAPT (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL12947826 0.89 MAPT (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL957877 0.89 MAPT (0.52) 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