SCHEMBL8577889

SCHEMBL8577889

O=c1c2ccccc2[nH]c2cc3ccccc3cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.69
ALDH1A1 P00352 3/20 0.69
HTT P42858 3/20 0.69
KDM4E B2RXH2 2/20 0.69
GLA P06280 2/20 0.69
HPGD P15428 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
LMNA P02545 1/20 0.69
ATM Q13315 1/20 0.69
POLB P06746 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
NPC1 O15118 1/20 0.61
CASP6 P55212 1/20 0.61
ABCG2 Q9UNQ0 2/20 0.60
CTSV O60911 3/20 0.54
CTSL P07711 3/20 0.54
AHR P35869 1/20 0.52
GRIN2D O15399 1/20 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
SCHEMBL22875997 0.92 PDE3B (0.58) GAAALDH1A1HTTKDM4EGLA
Naphthalene SCHEMBL28078626 0.90 GAA (0.72) GAAALDH1A1HTTKDM4EGLA
SCHEMBL13412897 0.90 PDE3B (0.56) GAAALDH1A1HTTKDM4EGLA
SCHEMBL13412901 0.88 GAA (0.82) GAAALDH1A1HTTKDM4EGLA
SCHEMBL22367061 0.88 GAA (0.82) GAAALDH1A1HTTKDM4EGLA
SCHEMBL29349876 0.88 GAA (0.82) GAAALDH1A1HTTKDM4EGLA
SCHEMBL92077 0.88 GAA (0.82) GAAALDH1A1HTTKDM4EGLA
SCHEMBL2630573 0.86 GAA (0.78) GAAALDH1A1HTTKDM4EGLA
SCHEMBL31037120 0.84 AHR (0.74) ALDH1A1KDM4EHPGDATMMEN1
SCHEMBL29386574 0.84 AHR (0.74) ALDH1A1KDM4EHPGDATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10237440-A None JP disclosed
JP-H10237440-A ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEM INC 1998-09-08 JP disclosed
EP-0369344-B1 N-arylation of isatins ABBOTT LAB (US) 1994-04-06 EP disclosed
EP-0369344-A1 N-arylation of isatins ABBOTT LABORATORIES (US) 1990-05-23 EP disclosed
US-3968051-A VINYL RESIN, POLYAROMATIC MATERIAL AMERICAN CYANAMID COMPANY (US) 1976-07-06 US disclosed