SCHEMBL15416404

SCHEMBL15416404

O=C(C(O)n1cnc2ccccc21)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.46
HTT P42858 1/20 0.44
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTK2 Q05397 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.40
APAF1 O14727 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EGLN3 Q9H6Z9 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
SCHEMBL15416402 0.74 HTT (0.50) HTTHPGDMEN1KMT2AHSD17B10
SCHEMBL15416672 0.72 LMNA (0.67) HTTGAACYP2C9CYP2C19LMNA
SCHEMBL6094420 0.72 HSD17B10 (0.58) HDAC8HTTHPGDMEN1KMT2A
SCHEMBL7514337 0.72 HSD17B10 (0.58) HDAC8HTTHPGDMEN1KMT2A
SCHEMBL8615932 0.70 HSD17B10 (0.65) HDAC8HTTHPGDMEN1KMT2A
SCHEMBL25670036 0.70 MEN1 (0.60) HDAC8HTTHPGDMEN1KMT2A
SCHEMBL9754107 0.70 HSD17B10 (0.54) HDAC8HTTHPGDMEN1KMT2A
SCHEMBL250816 0.70 MEN1 (0.64) HDAC8HTTHPGDMEN1KMT2A
SCHEMBL15416670 0.70 HSD17B10 (0.44) HDAC8HTTHPGDMEN1KMT2A
SCHEMBL4749932 0.69 KMT2A (0.48) HDAC8HTTHPGDMEN1KMT2A

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-2872502-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
WO-2014009302-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed