SCHEMBL23013263

SCHEMBL23013263

CCS(=O)(=O)c1cc(-c2ccc(F)cc2)cnc1-n1ncc2cc(C(F)(F)F)cnc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.39
GRIN2B Q13224 1/20 0.35
NR3C1 P04150 7/20 0.35
AR P10275 5/20 0.35
PGR P06401 3/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL23013731 0.92 ALDH1A1 (0.37) DDR1PKM
SCHEMBL23014161 0.92 DDR1 (0.35) DDR1GRIN2BCYP11B1CYP11B2PKM
SCHEMBL23013988 0.89 GRIN2B (0.39) DDR1GRIN2B
SCHEMBL23013669 0.89 DDR1 (0.35) DDR1
SCHEMBL23013658 0.89 KIF11 (0.37) DDR1GRIN2BNR3C1ARCYP11B1
SCHEMBL23013624 0.88 GRIN2B (0.41) GRIN2BNR3C1PGR
SCHEMBL23013314 0.87 DDR1 (0.33) DDR1
SCHEMBL23013871 0.87 DDR1 (0.36) DDR1PKM
SCHEMBL23013626 0.85 DDR1 (0.47) DDR1NR3C1ARPGRPI4KA
SCHEMBL23014195 0.85 RORC (0.32) DDR1GPR55

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