SCHEMBL6089871

SCHEMBL6089871

O=C1NN=C(c2ccco2)C1=Cc1ccc(Cl)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.34
RET P07949 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
RPS6KA3 P51812 2/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6089866 1.00 KDR (0.34) KDRRETALDH1A1LMNAL3MBTL1
SCHEMBL6088538 0.82 KDR (0.33) KDRRET
SCHEMBL6088541 0.82 KDR (0.33) KDRRET
SCHEMBL6091333 0.81 RET (0.37) KDRRETALDH1A1LMNAL3MBTL1
SCHEMBL6091336 0.81 RET (0.37) KDRRETALDH1A1LMNAL3MBTL1
SCHEMBL6089792 0.80 RET (0.53) KDRRETALDH1A1L3MBTL1RPS6KA3
SCHEMBL6089797 0.80 RET (0.53) KDRRETALDH1A1L3MBTL1RPS6KA3
SCHEMBL6088928 0.77 SIRT1 (0.45) KDRRETMAPT
SCHEMBL6088932 0.77 SIRT1 (0.45) KDRRETMAPT
SCHEMBL6088131 0.76 RET (0.37) KDRRETALDH1A1LMNAL3MBTL1

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