SCHEMBL6089181

SCHEMBL6089181

CCOC(=O)c1c[nH]c(C=C2C(=O)NN=C2CCc2ccccc2)c1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 3/20 0.42
ABL1 P00519 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT3 P36888 1/20 0.41
ALK Q9UM73 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRB2 P47870 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL6089176 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTABL1RETPDGFRB
SCHEMBL6091976 0.91 JAK2 (0.38) SMN1; SMN2MAPTABL1RETPDGFRB
SCHEMBL6091985 0.91 JAK2 (0.38) SMN1; SMN2MAPTABL1RETPDGFRB
SCHEMBL6089552 0.90 JAK2 (0.40) SMN1; SMN2MAPTABL1RETPDGFRB
SCHEMBL6089558 0.90 JAK2 (0.40) SMN1; SMN2MAPTABL1RETPDGFRB
SCHEMBL6090981 0.82 ALOX5 (0.46) SMN1; SMN2MAPTABL1RETPDGFRB
SCHEMBL6090979 0.82 ALOX5 (0.46) SMN1; SMN2MAPTABL1RETPDGFRB
SCHEMBL6090324 0.80 MAPT (0.38) SMN1; SMN2MAPTGABRA1GABRB1GABRA3
SCHEMBL6090321 0.80 MAPT (0.38) SMN1; SMN2MAPTGABRA1GABRB1GABRA3
SCHEMBL6091072 0.79 ABL1 (0.39) SMN1; SMN2MAPTABL1RETPDGFRB

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-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed