SCHEMBL29779593

SCHEMBL29779593

COC(=O)c1cnc(Br)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PSMD14 O00487 1/20 0.42
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL19689562 1.00 MAPK1 (0.46) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL1505593 0.82 MAPK1 (0.53) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL29220843 0.82 KDM4E (0.50) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL31444518 0.82 MAPK1 (0.49) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL4538933 0.82 MAPK1 (0.49) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL24215426 0.81 MAPK1 (0.47) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL114553 0.81 ATM (0.51) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL30574354 0.81 ATM (0.51) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL29104725 0.81 KDM4E (0.53) MAPK1ATMKDM4EL3MBTL1POLB
SCHEMBL487571 0.81 ATM (0.51) MAPK1ATMKDM4EL3MBTL1POLB

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
EP-4037670-A1 5-FLUORONICOTINAMIDE DERIVATIVES AND USES THEREOF Tenaya Therapeutics, Inc. (US) 2022-08-10 EP disclosed