SCHEMBL23536705

SCHEMBL23536705

Cc1cc(CC=O)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.39
IDO1 P14902 2/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
DAO P14920 1/20 0.37
NOTUM Q6P988 1/20 0.36
GRIN2B Q13224 1/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NFE2L2 Q16236 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL1295656 0.86 IDO1 (0.48) IDO1DAO
SCHEMBL27858188 0.85 NOS1 (0.39) IDH1IDO1RAPGEF4DAONOTUM
SCHEMBL14570493 0.81 IDO1 (0.43) IDH1IDO1RAPGEF4DAONOTUM
SCHEMBL22783327 0.81 IDO1 (0.37) IDO1DAONOTUMMAPT
SCHEMBL16767879 0.79 GRIN2B (0.44) IDH1IDO1RAPGEF4DAONOTUM
SCHEMBL1922913 0.79 PGK1 (0.39) IDH1PGK1PGK2MAPT
SCHEMBL1295918 0.78 RXRA (0.41) IDO1DAOFFAR4
SCHEMBL799008 0.78 IDO1 (0.41) IDH1IDO1RAPGEF4DAONOTUM
SCHEMBL806121 0.78 IDO1 (0.41) IDH1IDO1RAPGEF4DAONOTUM
SCHEMBL18002429 0.78 DAO (0.39) IDH1IDO1RAPGEF4DAONOTUM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4358963-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-05-01 EP disclosed
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed
EP-4076418-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127429-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2021-06-24 WO disclosed