SCHEMBL21376884

SCHEMBL21376884

CN1c2ccccc2-c2ccccc2-c2ccc3c(c21)-c1ccccc1C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.41
HTT P42858 7/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 10/20 0.40
MEN1 O00255 9/20 0.40
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.37
GLA P06280 1/20 0.37
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
POLB P06746 3/20 0.36
NPC1 O15118 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
SCHEMBL21376880 0.91 MAPT (0.36) MAPTHTTLMNAKMT2AMEN1
SCHEMBL21376902 0.88 MAPT (0.37) MAPTHTTLMNAKMT2AMEN1
SCHEMBL21376897 0.85 MAPT (0.35) MAPTHTTLMNAKMT2AMEN1
SCHEMBL21376887 0.84 MAPT (0.34) MAPTHTTLMNAKMT2AMEN1
SCHEMBL21376894 0.82 MAPT (0.31) MAPTHTTLMNAKMT2AMEN1
SCHEMBL12776553 0.82 MAPT (0.38) MAPTHTTLMNAKMT2AMEN1
SCHEMBL12776551 0.80 HTT (0.42) MAPTHTTLMNAKMT2AMEN1
SCHEMBL21376879 0.78 MAPT (0.34) MAPTHTTLMNAKMT2AMEN1
SCHEMBL21377084 0.74 MAPT (0.36) MAPTHTTLMNAKMT2AMEN1
SCHEMBL12776582 0.72 MAPT (0.38) MAPTHTTLMNAKMT2AMEN1

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
WO-2019174650-A1 COMPOUND HAVING BENZENE CORE, PREPARATION METHOD THEREFOR AND USES THEREOF ON ORGANIC ELECTROLUMINESCENT DEVICE 江苏三月光电科技有限公司 2019-09-19 WO disclosed