SCHEMBL22338532

SCHEMBL22338532

COCCn1ccc(-c2cc[n+](CCC(=O)O)nc2)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.38
▸ GLO1 Q04760 3/20 0.38
▸ ACACB O00763 1/20 0.37
▸ PDE10A Q9Y233 3/20 0.35

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
SCHEMBL22338542 0.87 KDR (0.40) KDRPDE10A
SCHEMBL22338444 0.86 KDR (0.35) KDR
SCHEMBL22338531 0.86 PIK3CD (0.39) KDRACACB
SCHEMBL22338533 0.84 — —
SCHEMBL22338539 0.84 ATR (0.36) GLO1PDE10A
SCHEMBL22338452 0.83 PIK3C3 (0.38) —
SCHEMBL22338522 0.82 HDAC6 (0.36) KDR
SCHEMBL22338537 0.81 KLKB1 (0.38) —
SCHEMBL22338538 0.81 HDAC6 (0.32) KDR
SCHEMBL22338331 0.81 HDAC6 (0.34) KDRPDE10A

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
WO-2020161270-A1 HERBICIDAL PYRIDAZINUM BASED COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
Send feedback