SCHEMBL21376889

SCHEMBL21376889

CN1c2cc3c(cc2-c2ccccc2-c2c1ccc1c2-c2ccccc2C1(C)C)-c1ccccc1C3(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.32
LMNA P02545 3/20 0.32
GAA P10253 3/20 0.32
HTT P42858 3/20 0.32
KDM4E B2RXH2 3/20 0.32
THRB P10828 2/20 0.32
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21377082 0.95 MAPT (0.32) MAPTLMNAGAAHTTKDM4E
SCHEMBL21377084 0.87 MAPT (0.36) MAPTLMNAGAAHTTKDM4E
SCHEMBL21376888 0.87 HTT (0.38) MAPTLMNAGAAHTTKDM4E
SCHEMBL21376881 0.86 LMNA (0.31) LMNAHTT
SCHEMBL12776553 0.85 MAPT (0.38) MAPTLMNAGAAHTTKDM4E
SCHEMBL21377074 0.84 HTT (0.36) MAPTLMNAGAAHTTKDM4E
SCHEMBL21376885 0.83 HTT (0.39) MAPTLMNAGAAHTTKDM4E
SCHEMBL21377087 0.81 HTT (0.38) MAPTLMNAGAAHTTKDM4E
SCHEMBL21377086 0.81 MAPT (0.31) MAPTLMNAHTTMEN1KMT2A
SCHEMBL21377081 0.81 LMNA (0.31) LMNAHTT

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