SCHEMBL8688262

SCHEMBL8688262

O=Nc1c(O)cc(N2CCCCC2)c2oc3ccccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
PRKDC P78527 2/20 0.49
KMT2A Q03164 5/20 0.40
TSHR P16473 5/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 3/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 4/20 0.37
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TLR9 Q9NR96 1/20 0.37
KDM5A P29375 1/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
RECQL P46063 2/20 0.37
AGTR1 P30556 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 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
SCHEMBL3882353 0.69 ALDH1A1 (0.48) ALDH1A1PRKDCKMT2ATSHRMEN1
SCHEMBL3133239 0.69 MAOA (0.49) ALDH1A1KMT2AMEN1GAAMAPK1
SCHEMBL31060240 0.67 PRKDC (1.00) ALDH1A1PRKDCGAAAGTR1
SCHEMBL3880536 0.66 ALDH1A1 (0.48) ALDH1A1PRKDCKMT2ATSHRMEN1
SCHEMBL20887127 0.66 PRKDC (0.54) ALDH1A1PRKDCKMT2ATSHRMEN1
SCHEMBL27592893 0.65 MAPT (0.41) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL8188021 0.65 PTGS2 (0.51) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL28818224 0.64 GAA (0.43) ALDH1A1KMT2AMEN1GAAMAPK1
SCHEMBL13437711 0.64 KDM5A (0.59) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL12125216 0.63 METAP1 (0.46) ALDH1A1KMT2AMEN1GAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5833885-A LENSES, ULTRAVIOLET RADIATION PROTECTION PILKINGTON PLC (GB) 1998-11-10 US disclosed
EP-0713491-A1 SPIRO(INDOLINO) OXAZINE PHOTOCHROMIC COMPOUNDS PILKINGTON PLC (GB) 1996-05-29 EP disclosed
WO-1995005385-A1 SPIRO(INDOLINO) OXAZINE PHOTOCHROMIC COMPOUNDS PILKINGTON PLC (GB) 1995-02-23 WO disclosed