SCHEMBL31037465

SCHEMBL31037465

O=C(O)NC1CCN(C(=O)c2cccc(-c3ccc([N+](=O)[O-])cc3C#Cc3ccc(C(=O)NCCN4CCCCC4)cc3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ SMYD2 Q9NRG4 1/20 0.38
▸ IKBKB O14920 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ HPGDS O60760 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ APP P05067 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CACNA1G O43497 1/20 0.35

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
SCHEMBL31037333 0.91 DRD2 (0.38) POLBSMYD2IKBKBERN1ALDH1A1
SCHEMBL31037341 0.81 USP30 (0.40) SMYD2IKBKBERN1DRD2DRD4
SCHEMBL31037320 0.78 MAPT (0.47) POLBIKBKBALDH1A1L3MBTL1
SCHEMBL31037276 0.78 CD274 (0.41) SMYD2DRD2DRD4DRD3CACNA1G
SCHEMBL31037306 0.73 ATR (0.46) POLBALDH1A1DRD2DRD4DRD3
SCHEMBL31037354 0.72 ALDH1A1 (0.42) POLBALDH1A1L3MBTL1
SCHEMBL31037304 0.72 ALDH1A1 (0.43) POLBALDH1A1DRD2DRD4DRD3
SCHEMBL31037274 0.71 NAMPT (0.41) IKBKB
SCHEMBL31037240 0.68 ACKR3 (0.43) POLBALDH1A1
SCHEMBL3642214 0.67 CYP1A2 (0.65) POLBALDH1A1DRD2DRD4DRD3

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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