SCHEMBL8777785

SCHEMBL8777785

CN(C)c1ccc([CH]c2c(-c3ccccc3)n(C)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
TEK Q02763 1/20 0.44
CYP2C19 P33261 1/20 0.43
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
GFER P55789 1/20 0.42
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL10528743 0.76 ALDH1A1 (0.71) ALDH1A1LMNAHSD17B10HPGDTEK
SCHEMBL10652626 0.75 ALDH1A1 (0.73) ALDH1A1LMNAHSD17B10HPGDTEK
SCHEMBL1429358 0.73 ALDH1A1 (1.00) ALDH1A1LMNAHSD17B10HPGDTEK
SCHEMBL18351210 0.73 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10HPGDCYP2C19
SCHEMBL28643190 0.71 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10HPGDTEK
SCHEMBL12715607 0.71 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10HPGDTEK
SCHEMBL8777589 0.70 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10HPGDCYP2C19
SCHEMBL8777650 0.69 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10HPGDCYP2C19
SCHEMBL8777579 0.69 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10HPGDCYP2C19
SCHEMBL8777643 0.69 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10HPGDCYP2C19

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 1 patent. 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