SCHEMBL28456106

SCHEMBL28456106

COC(=O)C(=O)NNC(=O)c1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.70
▸ ALDH1A1 P00352 4/20 0.58
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ TP53 P04637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ GFER P55789 1/20 0.48

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
SCHEMBL8373805 0.84 POLB (1.00) POLBALDH1A1RAB9AHTTTP53
SCHEMBL30208659 0.81 POLB (0.78) POLBALDH1A1NPC1RAB9AHTT
SCHEMBL11593314 0.79 POLB (0.81) POLBALDH1A1NPC1RAB9AHTT
SCHEMBL11822574 0.77 POLB (0.78) POLBALDH1A1NPC1RAB9AHTT
SCHEMBL8856838 0.77 POLB (0.77) POLBALDH1A1HTTTP53L3MBTL1
SCHEMBL5318618 0.77 CES2 (0.65) POLBALDH1A1MAPTKMT2ATSHR
SCHEMBL13479861 0.75 POLB (0.62) POLBALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL20287824 0.75 SMN1; SMN2 (0.59) POLBALDH1A1NPC1RAB9ALMNA
SCHEMBL20747778 0.75 CES2 (0.52) POLBALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL28002678 0.74 POLB (0.50) POLBALDH1A1TP53MAPTKMT2A

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-111548320-B 1,3,4-oxadiazole hydrazide compounds and preparation method and application thereof 贵州大学 2023-03-24 — — CN disclosed
CN-111548320-A 1, 3, 4-oxadiazole hydrazide compounds and preparation method and application thereof 贵州大学 2020-08-18 — — CN disclosed
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