SCHEMBL10119355

SCHEMBL10119355

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3OC[C@H]3CCCO3)cc2)cc1)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 4/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MGLL Q99685 1/20 0.37
LIPE Q05469 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL873261 0.97 LMNA (0.43) LMNAL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL10119362 0.91 HPGD (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL872107 0.88 KMT2A (0.42) LMNAL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL845476 0.77 HPGD (0.46) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL873304 0.74 PFKFB3 (0.39)
SCHEMBL845120 0.73 HPGD (0.47) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL872441 0.72 HPGD (0.38) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL845500 0.70 HPGD (0.51) LMNAL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL845495 0.70 HPGD (0.51) LMNAL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL845255 0.70 CYP2C9 (0.47) LMNAALDH1A1KMT2AHTTMEN1

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
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed