SCHEMBL23965631

SCHEMBL23965631

CCc1ccc(C(=N)C(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 2/20 0.42
PLK1 P53350 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
LMNA P02545 2/20 0.38
NQO2 P16083 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL23965680 0.84 PLK1 (0.46) ALDH1A1PLK1TAS1R3TAS1R1LPL
SCHEMBL25709673 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2IDO1PLK1TAS1R3
SCHEMBL6485939 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2IDO1PLK1TAS1R3
SCHEMBL10308978 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2IDO1PLK1TAS1R3
SCHEMBL13455846 0.72 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2IDO1PLK1TAS1R3
SCHEMBL13944771 0.71 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2IDO1PLK1TAS1R3
SCHEMBL1696572 0.71 PRSS1 (0.64) ALDH1A1SMN1; SMN2IDO1LMNANQO2
SCHEMBL22901598 0.71 TAS1R3 (0.44) ALDH1A1SMN1; SMN2IDO1PLK1TAS1R3
SCHEMBL23978128 0.70 F2 (0.46) ALDH1A1SMN1; SMN2LMNATDP1MAPK1
Hydrochloric Acid SCHEMBL11567719 0.70 PRSS1 (0.61) ALDH1A1SMN1; SMN2IDO1LMNANQO2

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-3903584-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 IV BASF SE (DE) 2021-11-03 EP disclosed
EP-3903582-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 II BASF SE (DE) 2021-11-03 EP disclosed
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
EP-3903581-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 I BASF SE (DE) 2021-11-03 EP disclosed