SCHEMBL29453066

SCHEMBL29453066

O/N=C1/CCc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
LMNA P02545 2/20 0.66
HSD17B10 Q99714 1/20 0.66
HTT P42858 2/20 0.55
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 9/20 0.51
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
KMT2A Q03164 2/20 0.49
CES1 P23141 1/20 0.48
GAA P10253 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.44

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
SCHEMBL2733083 1.00 HPGD (0.77) HPGDL3MBTL1LMNAHSD17B10HTT
SCHEMBL1201521 1.00 HPGD (0.77) HPGDL3MBTL1LMNAHSD17B10HTT
SCHEMBL29417938 1.00 HPGD (0.77) HPGDL3MBTL1LMNAHSD17B10HTT
SCHEMBL1201517 1.00 HPGD (0.77) HPGDL3MBTL1LMNAHSD17B10HTT
Water SCHEMBL5462177 0.98 HPGD (0.74) HPGDL3MBTL1LMNAHSD17B10HTT
SCHEMBL27741637 0.98 HPGD (0.74) HPGDL3MBTL1LMNAHSD17B10HTT
Hydrochloric Acid SCHEMBL18956239 0.98 HPGD (0.74) HPGDL3MBTL1LMNAHSD17B10HTT
Hydrochloric Acid SCHEMBL30295054 0.98 HPGD (0.74) HPGDL3MBTL1LMNAHSD17B10HTT
SCHEMBL1204352 0.87 L3MBTL1 (0.92) HPGDL3MBTL1LMNAHSD17B10ALDH1A1
SCHEMBL2217559 0.87 HPGD (1.00) HPGDL3MBTL1LMNAHSD17B10HTT

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-4204020-A1 METHOD OF TREATING PSMA-EXPRESSING CANCERS Advanced Accelerator Applications International S.A. (CH) 2023-07-05 EP disclosed
WO-2022043558-A1 METHOD OF TREATING PSMA-EXPRESSING CANCERS ADVANCED ACCELERATOR APPLICATIONS INTERNATIONAL SA (CH) 2022-03-03 WO disclosed