SCHEMBL30745583

SCHEMBL30745583

NC(=NO)c1ccncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
THRB P10828 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
SCHEMBL30422058 1.00 GAA (0.45) GAARAB9ASMN1; SMN2MKNK1MKNK2
SCHEMBL29269621 0.77 CCNC (0.41) GAARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29269618 0.77 LOXL2 (0.41) GAAALDH1A1MEN1KMT2ATDP1
SCHEMBL30422182 0.77 LOXL2 (0.41) GAAALDH1A1MEN1KMT2ATDP1
SCHEMBL30421963 0.77 CCNC (0.41) GAARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL30422349 0.77 CCNC (0.41) GAARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1877896 0.77 TDP1 (0.47) GAARAB9AMKNK1MKNK2NPC1
SCHEMBL2470189 0.77 TDP1 (0.47) GAARAB9AMKNK1MKNK2NPC1
SCHEMBL826357 0.76 MKNK1 (0.58) GAAMKNK1MKNK2ALDH1A1MEN1
SCHEMBL17984632 0.76 GAA (0.48) GAARAB9ASMN1; SMN2MKNK1MKNK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317956-A Bis (hetero) aryl thioether oxadiazines as fungicidal compounds 拜耳公司 2024-07-09 CN claimed
CN-118317956-A Bis (hetero) aryl thioether oxadiazines as fungicidal compounds 拜耳公司 2024-07-09 CN disclosed
CN-117545356-A Heterocyclic compound and method for controlling drug-resistant harmful arthropods by using composition containing same 住友化学株式会社 2024-02-09 CN disclosed