SCHEMBL21376887

SCHEMBL21376887

CN1c2ccc3c(c2-c2ccccc2-c2ccc4c(c21)-c1ccccc1C4(C)C)C(C)(C)c1ccccc1-3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 3/20 0.33
THRB P10828 2/20 0.33
RECQL P46063 2/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GLA P06280 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 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
SCHEMBL21376879 0.90 MAPT (0.34) MAPTLMNAHTTGAAKDM4E
SCHEMBL21376902 0.89 MAPT (0.37) MAPTLMNAHTTGAAKDM4E
SCHEMBL21377086 0.88 MAPT (0.31) MAPTLMNAHTTKMT2AMEN1
SCHEMBL21376894 0.87 MAPT (0.31) MAPTLMNAHTTGAAKDM4E
SCHEMBL21377083 0.85 PGR (0.34) MAPTLMNAHTTGAAKDM4E
SCHEMBL21376884 0.84 MAPT (0.41) MAPTLMNAHTTGAAKDM4E
SCHEMBL21376880 0.83 MAPT (0.36) MAPTLMNAHTTGAAKDM4E
SCHEMBL21376897 0.81 MAPT (0.35) MAPTLMNAHTTGAAKDM4E
SCHEMBL21376881 0.80 LMNA (0.31) LMNAHTT
SCHEMBL24570534 0.79 HTR2A (0.37) MAPTLMNAKDM4EKMT2AMEN1

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