SCHEMBL23965680

SCHEMBL23965680

CCCc1ccc(C(=N)C(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.41
CTDSP1 Q9GZU7 3/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL23965631 0.84 ALDH1A1 (0.47) PLK1L3MBTL1LPLLIPGALDH1A1
SCHEMBL23047513 0.75 PLK1 (0.52) PLK1THRBL3MBTL1LPLLIPG
SCHEMBL8420366 0.74 PRSS1 (0.59) PLK1THRBL3MBTL1LMNA
SCHEMBL7801088 0.73 PLK1 (0.53) PLK1THRBL3MBTL1LPLLIPG
SCHEMBL9022670 0.73 PLK1 (0.53) PLK1THRBL3MBTL1LPLLIPG
SCHEMBL8448673 0.73 PLK1 (0.53) PLK1THRBL3MBTL1LPLLIPG
Hydrochloric Acid SCHEMBL10342835 0.72 PRSS1 (0.57) PLK1THRBLMNA
SCHEMBL142480 0.71 LPL (0.62) PLK1THRBL3MBTL1LPLLIPG
SCHEMBL22156358 0.71 PLK1 (0.47) PLK1THRBL3MBTL1LPLLIPG
SCHEMBL11205046 0.71 L3MBTL1 (0.49) PLK1THRBL3MBTL1LPLLIPG

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-3903583-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS III BASF SE (DE) 2021-11-03 EP disclosed