SCHEMBL8701677

SCHEMBL8701677

CCc1cc(N)ccc1[C]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.40
ACHE P22303 1/20 0.39
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 5/20 0.34
GAA P10253 5/20 0.34
HTT P42858 3/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
GFER P55789 1/20 0.34
POLB P06746 3/20 0.33
CASP1 P29466 2/20 0.32
KMT2A Q03164 2/20 0.32
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
GABRA1 P14867 1/20 0.31

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
SCHEMBL1982932 0.82 KDM4E (0.52) PRKCIACHEALDH1A1KDM4EUSP2
SCHEMBL7677706 0.77 TRPA1 (0.40) ALDH1A1MAPTMAPK1POLBBACE1
SCHEMBL29738343 0.75 PRKCI (0.47) PRKCIACHEALDH1A1KDM4EUSP2
SCHEMBL395438 0.75 PRKCI (0.47) PRKCIACHEALDH1A1KDM4EUSP2
SCHEMBL94119 0.73 ALDH1A1 (0.50) PRKCIACHEALDH1A1KDM4EUSP2
SCHEMBL345797 0.73 PRKCI (0.45) PRKCIACHEALDH1A1KDM4EMAPT
SCHEMBL30227490 0.73 ALDH1A1 (0.50) PRKCIACHEALDH1A1KDM4EUSP2
SCHEMBL7292435 0.73 CASP1 (0.42) ALDH1A1KDM4EUSP2MAPTGAA
SCHEMBL2568662 0.71 GAA (0.52) PRKCIACHEALDH1A1KDM4EUSP2
SCHEMBL5953121 0.71 ALDH1A1 (0.54) PRKCIACHEALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5705649-A USING (7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)AMINO ALKANOIC ACID DERIVATIVE FLUORESCENT DYES PROMEGA CORPORATION (US) 1998-01-06 US disclosed
EP-0558658-A4 1994-08-31 EP disclosed
EP-0558658-A1 PROTEIN STAINING COMPOSITIONS AND METHODS PROMEGA CORPORATION (US) 1993-09-08 EP disclosed
WO-1992008689-A1 PROTEIN STAINING COMPOSITIONS AND METHODS PROMEGA CORPORATION (US) 1992-05-29 WO disclosed