SCHEMBL21377086

SCHEMBL21377086

CN1c2ccc3c(c2-c2ccccc2-c2c1ccc1c2C(C)(C)c2ccccc2-1)-c1ccccc1C3(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
PGR P06401 3/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL21377083 0.91 PGR (0.34) MAPTPGRMEN1KMT2ALMNA
SCHEMBL21377084 0.90 MAPT (0.36) MAPTPGRMEN1KMT2ALMNA
SCHEMBL21376887 0.88 MAPT (0.34) MAPTMEN1KMT2ALMNAHTT
SCHEMBL21376879 0.88 MAPT (0.34) MAPTMEN1KMT2ALMNAHTT
SCHEMBL12776553 0.84 MAPT (0.38) MAPTPGRMEN1KMT2ALMNA
SCHEMBL21377081 0.83 LMNA (0.31) LMNAHTT
SCHEMBL21376881 0.83 LMNA (0.31) LMNAHTT
SCHEMBL24570534 0.82 HTR2A (0.37) MAPTPGRMEN1KMT2ALMNA
SCHEMBL21376902 0.82 MAPT (0.37) MAPTPGRMEN1KMT2ALMNA
SCHEMBL21376889 0.81 MAPT (0.32) MAPTMEN1KMT2ALMNAHTT

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