SCHEMBL23014161

SCHEMBL23014161

CCS(=O)(=O)c1cc(-c2cc(F)cc(F)c2)cnc1-n1ncc2cc(C(F)(F)F)cnc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 11/20 0.35
GRIN2B Q13224 5/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KMT2A Q03164 1/20 0.32
GRIN1 Q05586 2/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL23013263 0.92 DDR1 (0.39) DDR1GRIN2BCYP11B1CYP11B2PKM
SCHEMBL23013871 0.90 DDR1 (0.36) DDR1KMT2APKM
SCHEMBL23013731 0.89 ALDH1A1 (0.37) DDR1KMT2APKM
SCHEMBL23013624 0.87 GRIN2B (0.41) GRIN2BGRIN1
SCHEMBL23013658 0.87 KIF11 (0.37) DDR1GRIN2BCYP11B1CYP11B2
SCHEMBL23013988 0.87 GRIN2B (0.39) DDR1GRIN2BGRIN1
SCHEMBL23013930 0.85 DDR1 (0.36) DDR1CYP11B1CYP11B2
SCHEMBL23013669 0.85 DDR1 (0.35) DDR1
SCHEMBL23014041 0.84 DDR1 (0.41) DDR1
SCHEMBL23013314 0.83 DDR1 (0.33) DDR1KMT2A

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-2021033141-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2021-02-25 WO claimed