SCHEMBL23965643

SCHEMBL23965643

CCc1c(C)cccc1C(=N)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
MYC P01106 1/20 0.38
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 2/20 0.36
CD38 P28907 2/20 0.36
KCNH2 Q12809 1/20 0.36
PARP1 P09874 2/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 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
SCHEMBL23965589 0.85 HPGD (0.38) PLAUF2F10PLGPLAT
SCHEMBL1660584 0.82 PARP1 (0.46) MYCHPGDALDH1A1KDM4EHSD17B10
SCHEMBL23965655 0.81 HPGD (0.38) PLAUF2F10PLGPLAT
Phosphonic Acid SCHEMBL16236592 0.80 CD38 (0.42) PLAUF2F10PLGPLAT
SCHEMBL1549077 0.77 ALDH1A1 (0.57) MYCHPGDALDH1A1KDM4EHSD17B10
SCHEMBL697398 0.77 BRPF1 (0.43) MYCHPGDALDH1A1KDM4EHSD17B10
Phosphoric Acid SCHEMBL30301428 0.77 CYP3A4 (0.42) PLAUF2F10PLGPLAT
SCHEMBL23965639 0.76 P2RX7 (0.39) PLAUF2F10PLGPLAT
SCHEMBL12164009 0.75 HPGD (0.46) HPGDALDH1A1KDM4EHTTKMT2A
SCHEMBL778105 0.74 TSHR (0.41) MYCHPGDALDH1A1KDM4EHSD17B10

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-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
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-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-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