SCHEMBL31037488

SCHEMBL31037488

CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C#Cc2ccc(F)cc2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2I)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ MAPT P10636 6/20 0.51
▸ LMNA P02545 5/20 0.51
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ WDR5 P61964 1/20 0.42
▸ SLC6A9 P48067 2/20 0.41
▸ SLC6A5 Q9Y345 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38

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 0.95 LMNA (0.56) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL25404283 0.85 ALDH1A1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL31037496 0.81 MAPT (0.42) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL31037289 0.80 GPR119 (0.44) ALDH1A1MAPTLMNASLC6A9SMN1; SMN2
SCHEMBL594502 0.79 LMNA (0.73) ALDH1A1MAPTLMNASLC6A9SLC6A5
SCHEMBL30202715 0.77 ALDH1A1 (0.57) ALDH1A1MAPTLMNASLC6A9SMN1; SMN2
SCHEMBL994347 0.77 ALDH1A1 (0.68) ALDH1A1MAPTLMNASLC6A9SLC6A5
SCHEMBL29536266 0.77 ALDH1A1 (0.68) ALDH1A1MAPTLMNASLC6A9SLC6A5
SCHEMBL31639389 0.76 ALDH1A1 (0.70) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL2531674 0.76 ALDH1A1 (0.70) ALDH1A1MAPTLMNAHTTNPSR1

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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