SCHEMBL27786451

SCHEMBL27786451

C=C(C(=O)OC#N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
ATM Q13315 2/20 0.46
LMNA P02545 3/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.38
CES1 P23141 3/20 0.38
CES2 O00748 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ELANE P08246 2/20 0.38
AKT1 P31749 1/20 0.36
XBP1 P17861 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.35
POLB P06746 1/20 0.35
PARP1 P09874 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL30132881 0.90 SMN1; SMN2 (0.43) TDP1ATMLMNAMAPTSMN1; SMN2
SCHEMBL28708001 0.81 TDP1 (0.50) TDP1ATMLMNAF2MAPT
SCHEMBL506074 0.77 TDP1 (0.53) TDP1ATMLMNAF2MAPT
SCHEMBL9124237 0.77 TDP1 (0.53) TDP1ATMLMNAF2MAPT
SCHEMBL28285748 0.76 TSHR (0.44) LMNAF2MAPTALDH1A1TSHR
SCHEMBL3870676 0.75 LMNA (0.56) TDP1LMNAF2MAPTALDH1A1
SCHEMBL5132603 0.75 TDP1 (0.56) TDP1ATMLMNAF2MAPT
SCHEMBL2402870 0.75 POLB (0.38) TDP1ATMLMNAF2MAPT
SCHEMBL9510682 0.75 CES2 (0.46) TDP1LMNAMAPTALDH1A1CES1
SCHEMBL28298041 0.75 TDP1 (0.45) TDP1ATMLMNAMAPTALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103221881-A Liquid crystal film LG CHEMICAL LTD 2013-07-24 CN claimed
CN-101782701-A Optical film, preparation method of the same, and liquid crystal display comprising the same LG CHEMICAL LTD 2010-07-21 CN claimed
CN-109643013-A Transmittance variable film 株式会社LG化学 2019-04-16 CN disclosed
CN-103890113-B Waterborne compositions, the blooming comprising which, the Polarizer using the blooming and the liquid crystal display device using the Polarizer LG化学株式会社 2017-03-29 CN disclosed
CN-103890113-A Aqueous composition, optical film including the same, polarizing plate using the same, and liquid crystal display device using the same LG CHEMICAL LTD 2014-06-25 CN disclosed
CN-103221881-A Liquid crystal film LG CHEMICAL LTD 2013-07-24 CN disclosed
CN-101782701-A Optical film, preparation method of the same, and liquid crystal display comprising the same LG CHEMICAL LTD 2010-07-21 CN disclosed