SCHEMBL6090973

SCHEMBL6090973

CC(C)OC1=NNC(=O)/C1=C\c1cn(C)c2cc(C(=O)O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.47
FCER2 P06734 1/20 0.45
SYK P43405 1/20 0.45
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
NTRK1 P04629 1/20 0.37
MAP3K5 Q99683 1/20 0.37

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
SCHEMBL6090976 1.00 KDR (0.47) KDRFCER2SYKMEN1CRHBP
SCHEMBL6091613 0.82 KMT2A (0.56) KDRSYKMEN1CRHBPKMT2A
SCHEMBL6090495 0.79 KDR (0.45) KDRFCER2SYKMEN1CRHBP
SCHEMBL6090500 0.79 KDR (0.45) KDRFCER2SYKMEN1CRHBP
SCHEMBL6088475 0.78 KDR (0.62) KDRFCER2SYKNTRK1
SCHEMBL6088468 0.78 KDR (0.62) KDRFCER2SYKNTRK1
SCHEMBL6090763 0.76 KDR (0.72) KDR
SCHEMBL6090746 0.76 KDR (0.72) KDR
SCHEMBL7491942 0.75 DYRK1A (0.39) KDRMEN1KMT2A
SCHEMBL6090634 0.73 KDR (0.40) KDRSYKMEN1CRHBPKMT2A

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