SCHEMBL28880360

SCHEMBL28880360

CON(C)C(=O)c1cc(OC(N)=O)c(F)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.40
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
RORC P51449 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.30
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
EPHX2 P34913 1/20 0.30
NOTUM Q6P988 1/20 0.30
SLC9A1 P19634 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
SCHEMBL23526088 0.81 MLYCD (0.43) MLYCDRORCGPBAR1CLK1DYRK1A
SCHEMBL29945782 0.81 MLYCD (0.43) MLYCDRORCGPBAR1CLK1DYRK1A
SCHEMBL28880379 0.81 KIF11 (0.40) THRATHRBNOTUM
SCHEMBL31643114 0.74 MLYCD (0.40) MLYCDEPHX2NOTUM
SCHEMBL28668894 0.74 MLYCD (0.40) MLYCDEPHX2NOTUM
SCHEMBL31073566 0.72 MLYCD (0.56) MLYCDRORCGPBAR1EPHX2NOTUM
SCHEMBL30014266 0.72 MLYCD (0.38) MLYCDEPHX2
SCHEMBL25839091 0.72 MLYCD (0.38) MLYCDEPHX2
SCHEMBL5367773 0.71 MLYCD (0.51) MLYCDGPBAR1CLK1DYRK1ADYRK1B
SCHEMBL28880369 0.70 SLC9A1 (0.31) SLC9A1

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
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed