SCHEMBL31037304

SCHEMBL31037304

CC(C)(C)OC(=O)NC1CCCN(c2ccc([N+](=O)[O-])cc2C#Cc2ccc(C(=O)NCCN3CCCCC3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ F10 P00742 1/20 0.37
▸ RET P07949 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL31037452 0.90 ALDH1A1 (0.35) ALDH1A1L3MBTL1LMNADRD2SMN1; SMN2
SCHEMBL31037261 0.89 MAP4K4 (0.41) ALDH1A1L3MBTL1DRD2SMN1; SMN2POLB
SCHEMBL31744282 0.84 CD274 (0.41) L3MBTL1DRD2JAK3BTKDPP4
SCHEMBL31037333 0.83 DRD2 (0.38) ALDH1A1L3MBTL1LMNADRD2POLB
SCHEMBL31037458 0.83 MAP4K4 (0.36) ALDH1A1L3MBTL1DRD2SMN1; SMN2USP2
SCHEMBL31037278 0.79 NAMPT (0.40) JAK3BTKRETCD274
SCHEMBL31037354 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNAPOLBNPSR1
SCHEMBL31037277 0.74 CYP2D6 (0.47) ALDH1A1L3MBTL1DRD2POLBNPSR1
SCHEMBL31037331 0.74 ALDH1A1 (0.49) ALDH1A1DRD2SMN1; SMN2JAK3BTK
SCHEMBL31037326 0.74 ALDH1A1 (0.49) ALDH1A1DRD2SMN1; SMN2JAK3BTK

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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