SCHEMBL17726017

SCHEMBL17726017

C=C(C)/C=C(\N=C(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ EGFR P00533 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ G6PC1 P35575 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL15434187 0.87 MEN1 (0.35) KMT2AMEN1CES2CES1MAPT
SCHEMBL18105408 0.79 KMT2A (0.35) KMT2AMEN1EGFRCES2CES1
SCHEMBL19055495 0.73 LMNA (0.37) KMT2AMEN1CES2CES1G6PC1
SCHEMBL16976545 0.72 NPC1 (0.46) KMT2AMEN1CES2CES1MAPT
SCHEMBL19421831 0.70 LMNA (0.35) KMT2AMEN1G6PC1MAPTLMNA
SCHEMBL19057990 0.67 NFE2L2 (0.45) KMT2AMEN1EGFRCES2CES1
SCHEMBL12435375 0.66 ESR1 (0.34) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL24884816 0.65 AKT1 (0.35) KMT2AMEN1CES2CES1MAPT
SCHEMBL22036325 0.65 LMNA (0.36) KMT2AMEN1CES2CES1G6PC1
SCHEMBL21229634 0.65 MAPT (0.43) KMT2AMEN1CES2CES1MAPT

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-2016068446-A1 ORGANIC OPTOELECTRONIC DIODE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2016-05-06 — — WO disclosed
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