SCHEMBL30465898

SCHEMBL30465898

FC(F)(F)c1cccc(Oc2nc(-n3ccc(C(F)(F)F)n3)ncc2C2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.37
PPP1CA P62136 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
IDH1 O75874 2/20 0.36
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CTSC P53634 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DRD1 P21728 1/20 0.35
MAPT P10636 1/20 0.35
P2RY1 P47900 2/20 0.35
MEN1 O00255 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35

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
SCHEMBL25315424 1.00 TNK2 (0.37) TNK2L3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL25315639 0.89 TNK2 (0.37) TNK2IDH1DRD1
SCHEMBL30465881 0.89 TNK2 (0.37) TNK2IDH1DRD1
SCHEMBL25315538 0.86 IDH1 (0.43) IDH1DRD1
SCHEMBL30465880 0.86 IDH1 (0.43) IDH1DRD1
SCHEMBL7873623 0.84 ALDH1A1 (0.44) L3MBTL1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL7881269 0.83 ALDH1A1 (0.40) L3MBTL1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL25315185 0.83 ALOX5AP (0.41) IDH1
SCHEMBL30465886 0.83 ALOX5AP (0.41) IDH1
SCHEMBL8015522 0.80 ALDH1A1 (0.48) L3MBTL1NPSR1CYP1A2CYP2C9CYP2C19

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
WO-2023129493-A1 SUBSTITUTED CYCLOPROPYLPYRIMIDNE HERBICIDES FMC CORPORATION (US) 2023-07-06 WO claimed
WO-2023129493-A1 SUBSTITUTED CYCLOPROPYLPYRIMIDNE HERBICIDES FMC CORPORATION (US) 2023-07-06 WO disclosed