SCHEMBL26463526

SCHEMBL26463526

COCCOC(=O)Nc1cccc(I)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
RAB9A P51151 5/20 0.50
LMNA P02545 3/20 0.50
MGLL Q99685 1/20 0.50
NPC1 O15118 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
MAPK1 P28482 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 2/20 0.47
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL27583650 0.84 RAB9A (0.71) HPGDRAB9ALMNANPC1KMT2A
SCHEMBL12972062 0.84 HPGD (0.57) HPGDRAB9ALMNAMGLLNPC1
SCHEMBL2098480 0.84 HPGD (0.50) HPGDRAB9ALMNAMGLLNPC1
SCHEMBL8211088 0.84 MAPK1 (0.57) HPGDRAB9ALMNAMGLLNPC1
SCHEMBL2283827 0.81 MGLL (0.56) HPGDRAB9ALMNAMGLLNPC1
SCHEMBL2056359 0.81 MGLL (0.56) HPGDRAB9ALMNAMGLLNPC1
SCHEMBL5623097 0.81 NPC1 (0.68) HPGDRAB9ALMNAMGLLNPC1
SCHEMBL21348757 0.80 FADS1 (0.51) HPGDRAB9ALMNAMGLLNPC1
SCHEMBL21695751 0.80 MEN1 (0.57) HPGDRAB9ALMNANPC1MEN1
SCHEMBL2054655 0.80 HDAC3 (0.53) HPGDRAB9ALMNAMGLLNPC1

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
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed