SCHEMBL21457723

SCHEMBL21457723

COC(=O)C(C#N)=Cc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MAPT P10636 4/20 0.55
ATM Q13315 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
SLC16A1 P53985 1/20 0.47

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
SCHEMBL21457720 1.00 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTATMGAA
SCHEMBL10413551 0.92 KDM4E (0.59) ALDH1A1L3MBTL1MAPTHTTKMT2A
SCHEMBL10413552 0.92 KDM4E (0.59) ALDH1A1L3MBTL1MAPTHTTKMT2A
SCHEMBL5337190 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTHTTKMT2A
SCHEMBL782202 0.85 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL13376833 0.85 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL14413763 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTHTTKMT2A
SCHEMBL19506137 0.85 EGFR (0.65) ALDH1A1L3MBTL1MAPTHTTKMT2A
SCHEMBL782201 0.85 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL21457302 0.84 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed