SCHEMBL23458451

SCHEMBL23458451

O=C(c1ccncc1)c1cccnc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.59
LTA4H P09960 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.43
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
PRKCI P41743 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHODH Q02127 1/20 0.40
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39

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
SCHEMBL5653339 0.87 NAPRT (0.67) NAPRTKMT2AMEN1LMNAKDM4E
SCHEMBL5046047 0.86 NAPRT (0.59) NAPRTLTA4HKMT2AMEN1LMNA
SCHEMBL27612856 0.85 NAPRT (0.73) NAPRTKMT2ALMNAKDM4ETSHR
SCHEMBL5215099 0.81 NAPRT (0.54) NAPRTKMT2ALMNAKDM4ETSHR
SCHEMBL8196094 0.79 LMNA (0.59) LTA4HKMT2AMEN1LMNAL3MBTL1
SCHEMBL23458501 0.79 PRKCI (0.59) NAPRTLTA4HKMT2AMEN1LMNA
SCHEMBL5214245 0.78 NAPRT (0.54) NAPRTKMT2ALMNAKDM4ETSHR
SCHEMBL7404189 0.78 KMT2A (0.59) LTA4HKMT2AMEN1LMNAKDM4E
SCHEMBL2745986 0.76 KMT2A (0.47) NAPRTLTA4HKMT2AMEN1LMNA
SCHEMBL6835503 0.75 LTA4H (0.52) NAPRTLTA4HKMT2AMEN1LMNA

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-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed