SCHEMBL5879643

SCHEMBL5879643

O=C(O)C=C1c2ccccc2NC(=O)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
ALDH1A1 P00352 4/20 0.63
NPSR1 Q6W5P4 2/20 0.63
KDM4E B2RXH2 1/20 0.63
PKM P14618 1/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
TGM2 P21980 2/20 0.59
LMNA P02545 1/20 0.59
IDO1 P14902 1/20 0.59
PIM1 P11309 1/20 0.52
PDGFRA P16234 1/20 0.52
FER P16591 1/20 0.52
LTK P29376 1/20 0.52
CDK8 P49336 1/20 0.52
ACVR1 Q04771 1/20 0.52
LRRK2 Q5S007 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
CCNB2 O95067 1/20 0.51

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
SCHEMBL5879640 1.00 MAPT (0.63) MAPTALDH1A1NPSR1KDM4EPKM
SCHEMBL5879639 1.00 MAPT (0.63) MAPTALDH1A1NPSR1KDM4EPKM
SCHEMBL30952119 0.90 MAPT (0.77) MAPTALDH1A1NPSR1KDM4EPKM
SCHEMBL3245039 0.90 MAPT (0.77) MAPTALDH1A1NPSR1KDM4EPKM
SCHEMBL3245042 0.90 MAPT (0.77) MAPTALDH1A1NPSR1KDM4EPKM
SCHEMBL9041594 0.86 TGM2 (0.55) MAPTALDH1A1NPSR1KDM4EPKM
SCHEMBL9041488 0.86 TGM2 (0.55) MAPTALDH1A1NPSR1KDM4EPKM
SCHEMBL9041602 0.86 TGM2 (0.55) MAPTALDH1A1NPSR1KDM4EPKM
SCHEMBL9041481 0.86 TGM2 (0.55) MAPTALDH1A1NPSR1KDM4EPKM
SCHEMBL12143508 0.83 MAPT (0.58) MAPTALDH1A1NPSR1KDM4EPKM

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
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed