SCHEMBL29901181

SCHEMBL29901181

CSCC(=O)Nc1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
POLB P06746 3/20 0.44
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
MITF O75030 1/20 0.40
XBP1 P17861 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 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
SCHEMBL15363431 1.00 GAA (0.45) GAAPOLBALDH1A1KMT2ATDP1
SCHEMBL2689981 0.90 GAA (0.41) GAAPOLBALDH1A1KMT2ATDP1
SCHEMBL16659472 0.86 HTT (0.44) GAAPOLBALDH1A1KMT2AIRAK4
SCHEMBL18884260 0.85 IRAK4 (0.37) GAAPOLBALDH1A1KMT2ATDP1
SCHEMBL16652373 0.85 ALDH1A1 (0.44) GAAPOLBALDH1A1KMT2AIRAK4
SCHEMBL2692929 0.84 IRAK4 (0.39) GAAPOLBALDH1A1IRAK4LMNA
SCHEMBL16269895 0.84 IRAK4 (0.39) GAAPOLBALDH1A1KMT2ATDP1
SCHEMBL22895190 0.84 GAA (0.41) GAAPOLBALDH1A1KMT2ATDP1
SCHEMBL29901199 0.84 GAA (0.41) GAAPOLBALDH1A1KMT2ATDP1
SCHEMBL16652277 0.84 SMN1; SMN2 (0.50) ALDH1A1KMT2AIRAK4SMN1; SMN2LMNA

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
CN-117770262-A Molecules having pesticidal utility and compositions and methods related thereto 科迪华农业科技有限责任公司 2024-03-29 CN disclosed
CN-112778271-B Molecules having pesticidal utility and compositions and methods related thereto 科迪华农业科技有限责任公司 2023-11-28 CN disclosed
CN-115279189-A Compositions having pesticidal utility and methods relating thereto 科迪华农业科技有限责任公司 2022-11-01 CN disclosed
EP-4068971-A1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-10-12 EP disclosed