SCHEMBL8137271

SCHEMBL8137271

O=C(c1cc2ccccc2cc1O)N1CCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
NPC1 O15118 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 5/20 0.57
HPGD P15428 1/20 0.57
LMNA P02545 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TSHR P16473 2/20 0.57
GAA P10253 1/20 0.57
CD74 P04233 1/20 0.56
MIF P14174 1/20 0.56
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
MAPT P10636 1/20 0.56
SPR P35270 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL16735643 0.85 LMNA (0.53) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL4143936 0.83 PDK1 (0.76) RAB9ANPC1L3MBTL1ALDH1A1HPGD
SCHEMBL13257726 0.79 RAB9A (0.70) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL16735666 0.78 LMNA (0.53) KMT2AALDH1A1LMNATSHRPDK1
SCHEMBL8133565 0.77 LMNA (0.53) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL16590061 0.76 ATM (0.65) L3MBTL1ALDH1A1HPGDPDK1PDK2
SCHEMBL16590062 0.76 SPR (0.65) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL16589623 0.75 PDK1 (0.80) PDK1PDK2PDK3PDK4
SCHEMBL31680509 0.75 HPGD (0.90) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL16060476 0.75 NPC1 (0.68) RAB9AKMT2ANPC1L3MBTL1ALDH1A1

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-1044978-A2 1-N-alkyl-5'-[(N'-(un)substituted)amido]spiroindolinonaphthoxazines, their preparation, compositions and (co)polymer matrices containing them Corning S.A. (FR) 2000-10-18 EP disclosed
EP-1038870-A1 3,3-bis(aryl)-5-((N-(un)substituted)amido)naphthopyrans, their preparation, compositions and (co)polymer matrices containing them Corning S.A. (FR) 2000-09-27 EP disclosed