SCHEMBL31037399

SCHEMBL31037399

CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(-c3ccc([N+](=O)[O-])cc3I)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ CFTR P13569 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ PDE11A Q9HCR9 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ HSD11B1 P28845 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL31037252 0.90 HDAC3 (0.47) USP30DRD2PARP1HDAC3HDAC1
SCHEMBL31037333 0.77 DRD2 (0.38) USP30DRD2PARP1BRD4ALDH1A1
SCHEMBL7718971 0.76 PARP1 (0.53) USP30PARP1HDAC3HDAC1HDAC2
SCHEMBL13631107 0.76 PARP1 (0.53) USP30PARP1HDAC3HDAC1HDAC2
SCHEMBL7718973 0.76 PARP1 (0.53) USP30PARP1HDAC3HDAC1HDAC2
SCHEMBL4305953 0.76 KDM4D (0.54) USP30PARP1HDAC3HDAC1HDAC2
SCHEMBL29067082 0.75 EPHX2 (0.59) DRD2NAMPTHSD11B1MGLLALDH1A1
SCHEMBL7939466 0.75 NAMPT (0.61) USP30PARP1HDAC3HDAC1HDAC2
SCHEMBL2610266 0.75 NAMPT (0.61) USP30PARP1HDAC3HDAC1HDAC2
SCHEMBL31037331 0.75 ALDH1A1 (0.49) DRD2MAPTPDE10ASMN1; SMN2ALDH1A1

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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