SCHEMBL26985674

SCHEMBL26985674

CCN(CC)CC.O=[N+]([O-])c1ccc(SP(=S)(S)Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 6/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ACHE P22303 2/20 0.37
▸ CYP1A2 P05177 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
SCHEMBL26189420 0.87 MAPT (0.47) ALDH1A1HSD17B10CYP3A4MAPK1TSHR
SCHEMBL30272207 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP3A4MAPK1TSHR
SCHEMBL1735465 0.71 ATM (0.52) ALDH1A1HSD17B10CYP3A4MAPK1TSHR
P-Nitrophenol SCHEMBL28026870 0.71 ATM (0.51) ALDH1A1HSD17B10MAPK1TSHRTP53
SCHEMBL28841893 0.71 MEN1 (0.47) ALDH1A1HSD17B10CYP3A4MAPK1TSHR
P-Nitrophenylphosphate SCHEMBL28201842 0.69 CA1 (0.76) ALDH1A1HSD17B10CYP3A4MAPK1TSHR
SCHEMBL2802945 0.68 CA1 (0.56) ALDH1A1HSD17B10CYP3A4MAPK1TSHR
SCHEMBL3157181 0.67 CYP2C19 (0.59) ALDH1A1HSD17B10TSHRKCNH2ATM
SCHEMBL4900236 0.67 MAPT (0.47) ALDH1A1HSD17B10CYP3A4MAPK1TSHR
4-Nitrobenzoic Acid SCHEMBL8398378 0.67 TDP1 (0.72) ALDH1A1MAPK1TSHRTP53ATM

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-4551580-A2 CRYSTALLINE MONOMERS FOR PREPARING ANTISENSE OLIGONUCLEOTIDES AND METHODS OF THEIR PREPARATION AND USE Eisai R&D Management Co., Ltd. (JP) 2025-05-14 — — EP disclosed
WO-2024010870-A2 CRYSTALLINE MONOMERS FOR PREPARING ANTISENSE OLIGONUCLEOTIDES AND METHODS OF THEIR PREPARATION AND USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2024-01-11 — — WO disclosed
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