SCHEMBL8782836

SCHEMBL8782836

Cc1cc2ccccc2c(OC(N)=O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28059710 0.81 KMT2A (0.48) ERN1KDM4EMAPTHSD17B10GAA
SCHEMBL6929061 0.79 TSHR (0.46) KDM4EHTTMAPTHSD17B10GAA
SCHEMBL8817298 0.78 ERN1 (0.61) ERN1KDM4EHTTPKMLMNA
SCHEMBL4172887 0.72 LMNA (0.54) KDM4EHTTMAPTHSD17B10PKM
SCHEMBL29393896 0.71 HTT (0.44) KDM4EHTTMAPTHSD17B10GAA
SCHEMBL340402 0.70 CYP1A2 (0.63) KDM4EHTTHSD17B10LMNAALDH1A1
SCHEMBL29728547 0.70 NCEH1 (0.47) KDM4EHTTMAPTHSD17B10GAA
SCHEMBL3953630 0.70 LMNA (0.52) HTTMAPTHSD17B10GAAPKM
SCHEMBL31277250 0.70 LMNA (0.52) HTTMAPTHSD17B10PKMLMNA
SCHEMBL3262903 0.70 LMNA (0.52) HTTMAPTHSD17B10PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560898-B1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES INC (US) 1997-03-26 EP disclosed
US-5340857-A Ophthalmic lenses, plastic transparencies PPG INDUSTRIES, INC. (US) 1994-08-23 US disclosed
EP-0560898-A4 PHOTOCHROMIC NAPHTHOPYRANS 1993-11-18 EP disclosed
EP-0560898-A1 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1993-09-22 EP disclosed
US-5244602-A Photochromic articles comprising polymerized organic host material and naphthopyran PPG INDUSTRIES, INC. (US) 1993-09-14 US disclosed
WO-1992009593-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1992-06-11 WO disclosed