SCHEMBL31037252

SCHEMBL31037252

CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(-c3ccc([N+](=O)[O-])cc3N)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ PARP1 P09874 2/20 0.44
▸ USP30 Q70CQ3 4/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL31037399 0.90 USP30 (0.43) HDAC3HDAC1HDAC2PARP1USP30
SCHEMBL31037333 0.77 DRD2 (0.38) PARP1USP30DRD2BRD4ALDH1A1
SCHEMBL7718971 0.76 PARP1 (0.53) HDAC3HDAC1HDAC2PARP1USP30
SCHEMBL13631107 0.76 PARP1 (0.53) HDAC3HDAC1HDAC2PARP1USP30
SCHEMBL7718973 0.76 PARP1 (0.53) HDAC3HDAC1HDAC2PARP1USP30
SCHEMBL4305953 0.76 KDM4D (0.54) HDAC3HDAC1HDAC2PARP1USP30
SCHEMBL29067082 0.75 EPHX2 (0.59) DRD2NAMPTMGLLHSD11B1ALDH1A1
SCHEMBL2610266 0.75 NAMPT (0.61) HDAC3HDAC1HDAC2PARP1USP30
SCHEMBL7939466 0.75 NAMPT (0.61) HDAC3HDAC1HDAC2PARP1USP30
SCHEMBL29777797 0.75 BRD4 (0.48) HDAC3HDAC1HDAC2PARP1BRD4

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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