SCHEMBL29158160

SCHEMBL29158160

COc1ccccc1N1C/C(=C/I)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 3/20 0.40
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
AKR1C3 P42330 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
UGCG Q16739 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37

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
SCHEMBL29158165 1.00 MGLL (0.42) MGLLALDH1A1POLBATMMAPT
SCHEMBL29158177 0.81 DDB1 (0.41) MGLLALDH1A1MAPTHPGDKMT2A
SCHEMBL29158179 0.81 DDB1 (0.41) MGLLALDH1A1MAPTHPGDKMT2A
SCHEMBL3622244 0.76 ALDH1A1 (0.49) MGLLALDH1A1POLBATMMAPT
SCHEMBL29158171 0.74 HSD17B3 (0.57) MGLLALDH1A1POLBMAPTHPGD
SCHEMBL29158167 0.74 HSD17B3 (0.57) MGLLALDH1A1POLBMAPTHPGD
SCHEMBL29158157 0.74 NPC1 (0.41) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL29158161 0.74 NPC1 (0.41) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL29158162 0.71 ALDH1A1 (0.33) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL29158159 0.71 ALDH1A1 (0.33) ALDH1A1POLBMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521268-B Method for synthesizing iodo-alkenyl oxazolidone derivative 贺州学院 2024-01-05 CN disclosed