SCHEMBL29941199

SCHEMBL29941199

O=C(NOCCO)c1cccc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.52
MAP2K2 P36507 3/20 0.51
CES2 O00748 1/20 0.49
BCHE P06276 1/20 0.49
CES1 P23141 1/20 0.49
KAT6A Q92794 1/20 0.43

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
SCHEMBL6295923 0.91 MAP2K1 (0.55) MAP2K1MAP2K2CES2BCHECES1
SCHEMBL6295965 0.86 CES2 (0.47) MAP2K1MAP2K2CES2BCHECES1
SCHEMBL6295843 0.82 CES2 (0.44) MAP2K1MAP2K2CES2BCHECES1
SCHEMBL6291260 0.81 KAT6A (0.45) MAP2K1CES2BCHECES1KAT6A
SCHEMBL9703918 0.81 HDAC3 (0.47) MAP2K1MAP2K2
SCHEMBL2646708 0.78 CES2 (0.61) CES2BCHECES1KAT6A
SCHEMBL4862965 0.78 CES2 (0.45) MAP2K1CES2BCHECES1KAT6A
SCHEMBL6291256 0.78 CES2 (0.45) MAP2K1MAP2K2CES2BCHECES1
SCHEMBL4861283 0.77 MAPK1 (0.47) MAP2K1MAP2K2CES2BCHECES1
SCHEMBL4861405 0.77 CES2 (0.41) MAP2K1MAP2K2CES2BCHECES1

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-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed