SCHEMBL21376897

SCHEMBL21376897

CN1c2cc3c(cc2-c2ccccc2-c2ccc4c(c21)-c1ccccc1C4(C)C)C(C)(C)c1ccccc1-3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.35
HTT P42858 7/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 6/20 0.34
GAA P10253 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
THRB P10828 2/20 0.34
RECQL P46063 2/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 8/20 0.33
MEN1 O00255 7/20 0.33
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 1/20 0.31
POLB P06746 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL21376896 0.85 HTT (0.35) MAPTHTTLMNAKDM4EGAA
SCHEMBL21376884 0.85 MAPT (0.41) MAPTHTTLMNAKDM4EGAA
SCHEMBL21377087 0.84 HTT (0.38) MAPTHTTLMNAKDM4EGAA
SCHEMBL21376880 0.84 MAPT (0.36) MAPTHTTLMNAKDM4EGAA
SCHEMBL21377082 0.84 MAPT (0.32) MAPTHTTLMNAKDM4EGAA
SCHEMBL21376902 0.82 MAPT (0.37) MAPTHTTLMNAKDM4EGAA
SCHEMBL21377074 0.82 HTT (0.36) MAPTHTTLMNAKDM4EGAA
SCHEMBL21376887 0.81 MAPT (0.34) MAPTHTTLMNAKDM4EGAA
SCHEMBL12776556 0.80 HTT (0.39) MAPTHTTLMNAKDM4EGAA
SCHEMBL21377077 0.80 HTT (0.35) MAPTHTTLMNAKDM4EGAA

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