SCHEMBL31344713

SCHEMBL31344713

NC(=NO)c1ncc(Cl)cc1Sc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 8/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.36
GRIN2B Q13224 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
DHFR P00374 1/20 0.34
PLAU P00749 1/20 0.34
RAB9A P51151 1/20 0.34
CCR9 P51686 1/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL31344739 0.83 PLAU (0.36) ALDH1A1ICAM1SELEPLAU
SCHEMBL31344698 0.81 IDO1 (0.43) ALDH1A1ICAM1SELEMEN1KMT2A
SCHEMBL31344741 0.80 NPSR1 (0.50) NPSR1ALDH1A1MAPTLMNAHPGD
SCHEMBL31344743 0.74 NPSR1 (0.41) NPSR1ALDH1A1MAPTLMNAHPGD
SCHEMBL5227027 0.70 ALDH1A1 (0.69) NPSR1ALDH1A1MAPTLMNAHPGD
SCHEMBL31344690 0.70 NPSR1 (0.35) NPSR1PLAU
SCHEMBL31344697 0.70 NPSR1 (0.40) NPSR1ALDH1A1MAPTLMNAHPGD
SCHEMBL2170639 0.66 NPSR1 (0.65) NPSR1ALDH1A1MAPTLMNAHPGD
SCHEMBL2170642 0.66 NPSR1 (0.65) NPSR1ALDH1A1MAPTLMNAHPGD
SCHEMBL4586975 0.65 PLAU (0.40) NPSR1ALDH1A1MAPTLMNAHPGD

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
EP-4724447-A1 SYNTHESIS OF CYCLIC ACYL SULFOXIMINES Syngenta Crop Protection AG (CH) 2026-04-15 EP disclosed
WO-2024252006-A1 SYNTHESIS OF CYCLIC ACYL SULFOXIMINES SYNGENTA CROP PROTECTION AG (CH) 2024-12-12 WO disclosed