SCHEMBL30744218

SCHEMBL30744218

CC(C)(C)S(=O)(=O)c1cncc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
S100A9 P06702 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
EGFR P00533 5/20 0.37
SLC22A12 Q96S37 1/20 0.36
PTGS2 P35354 2/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
RAB9A P51151 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL31239675 0.81 S100A9 (0.39) S100A9ALDH1A1POLBHCAR2EGFR
SCHEMBL853773 0.78 PTGS2 (0.48) PIK3CDPIK3CGS100A9POLBHCAR2
SCHEMBL31375066 0.77 S100A9 (0.44) S100A9POLBHCAR2EGFRPTGS2
SCHEMBL18269724 0.77 PIK3CG (0.41) PIK3CDPIK3CGALDH1A1HCAR2PTGS2
SCHEMBL31375031 0.77 PIK3CD (0.41) PIK3CDPIK3CGS100A9ALDH1A1HCAR2
SCHEMBL1348246 0.77 ALDH1A1 (0.51) PIK3CDPIK3CGS100A9ALDH1A1EGFR
SCHEMBL12909460 0.77 S100A9 (0.37) S100A9POLBHCAR2EGFRSLC22A12
SCHEMBL31375063 0.74 POLB (0.42) S100A9POLBHCAR2EGFRPTGS2
SCHEMBL26614777 0.74 POLB (0.42) S100A9POLBHCAR2EGFRPTGS2
SCHEMBL352138 0.74 S100A9 (0.45) S100A9ALDH1A1POLBHCAR2EGFR

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-119451572-A Method for controlling plant disease 住友化学株式会社 2025-02-14 CN claimed
CN-119451572-A Method for controlling plant disease 住友化学株式会社 2025-02-14 CN disclosed
WO-2023243677-A1 PLANT DISEASE CONTROL METHOD 住友化学株式会社 2023-12-21 WO disclosed