SCHEMBL29958840

SCHEMBL29958840

[2H]C1C(NC(=O)c2ccccc2C)C[S+]1[O-]

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
GLA P06280 1/20 0.54
POLB P06746 4/20 0.50
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.42

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
SCHEMBL27828404 0.88 NPC1 (0.63) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL457993 0.77 NPC1 (0.84) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL29958989 0.77 MEN1 (0.59) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162641 0.74 NPC1 (0.90) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13162659 0.74 NPC1 (0.97) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL13164090 0.74 NPC1 (0.69) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL23573547 0.73 NPC1 (0.77) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL2012302 0.73 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL8198182 0.73 NPC1 (1.00) NPC1RAB9ASMN1; SMN2GLAPOLB
SCHEMBL23573548 0.73 NPC1 (0.77) NPC1RAB9ASMN1; SMN2GLAPOLB

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
CN-115135153-B Encapsulated pyrethroids with enhanced activity in soil and foliar applications 拜耳公司 2025-04-04 CN disclosed
CN-115135153-A Encapsulated pyrethroids with increased activity in soil and foliar applications 拜耳公司 2022-09-30 CN disclosed