SCHEMBL8777654

SCHEMBL8777654

Cc1c(C(COCC(c2ccc(N(C)C)cc2)c2c(C)n(C)c3ccccc23)c2ccc(N(C)C)cc2)c2ccccc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
GAA P10253 7/20 0.42
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
GFER P55789 1/20 0.36
NPSR1 Q6W5P4 2/20 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
SCHEMBL8777784 0.85 CYP19A1 (0.42) ALDH1A1GAARAB9ANPC1MAPT
SCHEMBL8777643 0.85 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL8777569 0.83 ALDH1A1 (0.45) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL8777748 0.82 CNR2 (0.42) ALDH1A1MAPTKDM4EHTT
SCHEMBL8777656 0.80 GAA (0.38) ALDH1A1GAARAB9ANPC1MAPT
SCHEMBL10836556 0.78 GAA (0.39) ALDH1A1GAARAB9ANPC1MAPT
SCHEMBL10836562 0.77 NPC1 (0.37) ALDH1A1GAARAB9ANPC1MAPT
SCHEMBL8777611 0.77 ALDH1A1 (0.38) ALDH1A1GAARAB9ANPC1MAPT
SCHEMBL8777658 0.74 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL10834697 0.74 ALDH1A1 (0.35) ALDH1A1GAARAB9ANPC1MAPT

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-0587184-B1 Pressure sensitive recording materials NEW OJI PAPER CO LTD (JP) 1997-12-29 EP disclosed
EP-0587184-A2 Pressure sensitive recording materials NEW OJI PAPER CO., LTD. (JP) 1994-03-16 EP disclosed