SCHEMBL21457511

SCHEMBL21457511

CC(C)COC(=O)C(C#N)=Cc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MAPT P10636 8/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 3/20 0.52
TP53 P04637 2/20 0.49
PTP4A1 Q93096 2/20 0.49
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
DNM1 Q05193 3/20 0.48
THRB P10828 1/20 0.47
PTP4A3 O75365 1/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 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
SCHEMBL21457509 1.00 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457161 0.88 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457553 0.88 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457550 0.88 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457165 0.88 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457714 0.86 PDCD1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457467 0.86 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457716 0.86 PDCD1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21457465 0.86 MAPT (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4137737 0.86 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E

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