SCHEMBL31037324

SCHEMBL31037324

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.56
▸ MAPT P10636 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ WDR5 P61964 1/20 0.44
▸ SLC6A9 P48067 2/20 0.44
▸ SLC6A5 Q9Y345 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41

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
SCHEMBL31037488 0.95 ALDH1A1 (0.51) LMNAMAPTALDH1A1HTTNPSR1
SCHEMBL31037496 0.85 MAPT (0.42) LMNAMAPTALDH1A1HTTNPSR1
SCHEMBL31037289 0.84 GPR119 (0.44) LMNAMAPTALDH1A1SLC6A9SMN1; SMN2
SCHEMBL594502 0.84 LMNA (0.73) LMNAMAPTALDH1A1SLC6A9SLC6A5
SCHEMBL30202715 0.82 ALDH1A1 (0.57) LMNAMAPTALDH1A1SLC6A9SMN1; SMN2
SCHEMBL994347 0.81 ALDH1A1 (0.68) LMNAMAPTALDH1A1SLC6A9SLC6A5
SCHEMBL29536266 0.81 ALDH1A1 (0.68) LMNAMAPTALDH1A1SLC6A9SLC6A5
SCHEMBL6052515 0.80 LMNA (0.67) LMNAMAPTALDH1A1SLC6A9SLC6A5
SCHEMBL27178641 0.79 MAPT (0.68) LMNAMAPTALDH1A1HTTNPSR1
SCHEMBL25404908 0.78 ALDH1A1 (0.70) LMNAMAPTALDH1A1SMN1; SMN2GAA

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-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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