SCHEMBL30001445

SCHEMBL30001445

C[C@H](O)[C@H](O)c1cc([N+](=O)[O-])ccn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 4/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4D Q08499 1/20 0.37
ACHE P22303 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL30001844 1.00 KMT2A (0.39) KMT2AMEN1USP2POLBALDH1A1
SCHEMBL30000712 1.00 KMT2A (0.39) KMT2AMEN1USP2POLBALDH1A1
SCHEMBL30001467 1.00 KMT2A (0.39) KMT2AMEN1USP2POLBALDH1A1
SCHEMBL3716664 0.83 TSHR (0.42) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL29186936 0.77 ALDH1A1 (0.39) KMT2AMEN1USP2POLBALDH1A1
SCHEMBL30001321 0.77 ALDH1A1 (0.39) KMT2AMEN1USP2POLBALDH1A1
SCHEMBL29186970 0.76 CYP2D6 (0.41) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL30001220 0.76 CYP2D6 (0.41) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1852040 0.71 PDE4D (0.40) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL27662884 0.71 GAA (0.45) POLBALDH1A1MAPTHTTSMN1; SMN2

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-4347032-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
WO-2022256702-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed