SCHEMBL31037496

SCHEMBL31037496

CC(C)(C)C1CN(c2ccc(N)cc2C#Cc2ccc(F)cc2)CCN1C(=O)O.CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C#Cc2ccc(F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ SLC6A5 Q9Y345 2/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ MET P08581 1/20 0.33

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
SCHEMBL31037324 0.85 LMNA (0.56) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL31037289 0.82 GPR119 (0.44) MAPTLMNAALDH1A1NR1H2SLC6A9
SCHEMBL31037488 0.81 ALDH1A1 (0.51) MAPTLMNAALDH1A1HTTNPSR1
SCHEMBL31037473 0.73 ALOX15 (0.39) MAPTALDH1A1NPSR1KMT2AGAA
SCHEMBL594502 0.71 LMNA (0.73) MAPTLMNAALDH1A1SLC6A5SLC6A9
SCHEMBL30202715 0.69 ALDH1A1 (0.57) MAPTLMNAALDH1A1SLC6A9MEN1
SCHEMBL994347 0.69 ALDH1A1 (0.68) MAPTLMNAALDH1A1SLC6A5SLC6A9
SCHEMBL29536266 0.69 ALDH1A1 (0.68) MAPTLMNAALDH1A1SLC6A5SLC6A9
SCHEMBL14574753 0.69 MAPT (0.50) MAPTLMNAALDH1A1TDP1SLC6A9
SCHEMBL6052515 0.68 LMNA (0.67) MAPTLMNAALDH1A1SLC6A5SLC6A9

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-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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