SCHEMBL21377083

SCHEMBL21377083

CN1c2ccc3c(c2-c2ccccc2-c2c1ccc1c2C(C)(C)c2ccccc2-1)C(C)(C)c1ccccc1-3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.34
HTT P42858 4/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 7/20 0.34
MEN1 O00255 6/20 0.34
MAPT P10636 6/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 2/20 0.31
RECQL P46063 2/20 0.31
GAA P10253 2/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 2/20 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
SCHEMBL21377086 0.91 MAPT (0.31) PGRHTTLMNAKMT2AMEN1
SCHEMBL21376881 0.88 LMNA (0.31) HTTLMNA
SCHEMBL21377081 0.88 LMNA (0.31) HTTLMNA
SCHEMBL21376887 0.85 MAPT (0.34) HTTLMNAKMT2AMEN1MAPT
SCHEMBL12793269 0.82 HTT (0.43) PGRHTTLMNAKMT2AMEN1
SCHEMBL21376879 0.79 MAPT (0.34) HTTLMNAKMT2AMEN1MAPT
SCHEMBL21377084 0.78 MAPT (0.36) PGRHTTLMNAKMT2AMEN1
SCHEMBL21376892 0.76 PGR (0.36) PGRHTTLMNAKMT2AMEN1
SCHEMBL24570534 0.75 HTR2A (0.37) PGRLMNAKMT2AMEN1MAPT
SCHEMBL12776551 0.74 HTT (0.42) PGRHTTLMNAKMT2AMEN1

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