SCHEMBL20385751

SCHEMBL20385751

Nc1ccc2c3c(cccc13)C(=O)N(CCCCI)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.64
NFE2L2 Q16236 6/20 0.64
TLR9 Q9NR96 2/20 0.64
KMT2A Q03164 8/20 0.63
USP2 O75604 7/20 0.63
MEN1 O00255 7/20 0.63
CYP1B1 Q16678 4/20 0.63
ATM Q13315 3/20 0.63
HTR1A P08908 4/20 0.54
MAPT P10636 5/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
THRB P10828 2/20 0.53
APAF1 O14727 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 2/20 0.52
HEXA P06865 2/20 0.50
HEXB P07686 2/20 0.50

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
SCHEMBL29086656 0.87 HEXA (0.67) KEAP1NFE2L2TLR9KMT2AUSP2
SCHEMBL10690064 0.86 KEAP1 (0.64) KEAP1NFE2L2TLR9KMT2AUSP2
SCHEMBL13964867 0.86 KMT2A (0.67) KEAP1NFE2L2TLR9KMT2AUSP2
SCHEMBL12023617 0.85 KMT2A (0.70) KEAP1NFE2L2TLR9KMT2AUSP2
SCHEMBL7646893 0.85 KMT2A (0.70) KEAP1NFE2L2TLR9KMT2AUSP2
SCHEMBL3891083 0.84 KMT2A (0.74) KEAP1NFE2L2TLR9KMT2AUSP2
SCHEMBL13964866 0.82 USP2 (0.70) KEAP1NFE2L2TLR9KMT2AUSP2
SCHEMBL9437193 0.81 KMT2A (0.78) KEAP1NFE2L2TLR9KMT2AUSP2
SCHEMBL20385847 0.81 KEAP1 (0.61) KEAP1NFE2L2TLR9KMT2AUSP2
SCHEMBL16224764 0.81 KMT2A (0.73) KEAP1NFE2L2TLR9KMT2AUSP2

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-3763371-A1 METHODS OF ACUTE RESTORATION OF VASCULAR COMPLIANCE Alumend, LLC (US) 2021-01-13 EP disclosed
EP-3348555-A2 COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING Alumend, LLC (US) 2018-07-18 EP disclosed