SCHEMBL21376896

SCHEMBL21376896

CN1c2cc3c(cc2-c2ccccc2-c2ccc4c(c21)C(C)(C)c1ccccc1-4)C(C)(C)c1ccccc1-3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 11/20 0.33
KMT2A Q03164 10/20 0.33
MEN1 O00255 9/20 0.33
USP2 O75604 4/20 0.33
KDM4E B2RXH2 4/20 0.32
GAA P10253 3/20 0.32
THRB P10828 3/20 0.32
RECQL P46063 3/20 0.32
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 4/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP2D6 P10635 2/20 0.31
CYP1A2 P05177 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
SCHEMBL21377077 0.95 HTT (0.35) HTTLMNAMAPTKMT2AMEN1
SCHEMBL21377087 0.85 HTT (0.38) HTTLMNAMAPTKMT2AMEN1
SCHEMBL21376897 0.85 MAPT (0.35) HTTLMNAMAPTKMT2AMEN1
SCHEMBL12776551 0.84 HTT (0.42) HTTLMNAMAPTKMT2AMEN1
SCHEMBL21377081 0.84 LMNA (0.31) HTTLMNA
SCHEMBL21376892 0.84 PGR (0.36) HTTLMNAMAPTKMT2AMEN1
SCHEMBL21377074 0.83 HTT (0.36) HTTLMNAMAPTKMT2AMEN1
SCHEMBL12776556 0.81 HTT (0.39) HTTLMNAMAPTKMT2AMEN1
SCHEMBL21376888 0.79 HTT (0.38) HTTLMNAMAPTKMT2AMEN1
SCHEMBL21376881 0.79 LMNA (0.31) HTTLMNA

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