SCHEMBL29005296

SCHEMBL29005296

O=C(O)c1ccc(OC(F)C(F)F)nn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.40
P4HA1 P13674 1/20 0.32
MIF P14174 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.30
MGAM O43451 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
SCHEMBL31214258 0.86 NNMT (0.42) NNMTP4HA1MIFP4HTMKDM4E
SCHEMBL29005254 0.77 NNMT (0.40) NNMT
SCHEMBL28976769 0.75 KDM4E (0.52) P4HTMKDM4EALOX15TSHRACMSD
SCHEMBL1544188 0.74 NNMT (0.68) NNMTP4HA1MIFP4HTMKDM4E
SCHEMBL29005159 0.72 SIRT6 (0.42) P4HA1MIFP4HTMKDM4EALOX15
SCHEMBL698657 0.72 KDM4E (0.52) NNMTP4HA1MIFP4HTMKDM4E
SCHEMBL28972379 0.71 MAPT (0.54) NNMTP4HA1MIFP4HTML3MBTL1
SCHEMBL29127599 0.71
SCHEMBL29106396 0.71 MEN1 (0.32) TSHRALDH1A1
SCHEMBL28979555 0.71 BCAT2 (0.44)

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
CN-116134018-A 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor 默沙东有限责任公司 2023-05-16 CN disclosed
CN-116056697-A 2-oxo-oxazolidine-5-carboxamides as NAV1.8 inhibitors 默沙东有限责任公司 2023-05-02 CN disclosed