SCHEMBL23051189

SCHEMBL23051189

N#Cc1c(C#N)c(OC(=O)O)c2ccccc2c1OC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
MAPK1 P28482 2/20 0.41
STAT3 P40763 2/20 0.41
RCE1 Q9Y256 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MCL1 Q07820 1/20 0.36
PDE9A O76083 1/20 0.36

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
SCHEMBL23066185 0.89 HSD17B10 (0.43) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL10352802 0.81 KDM4E (0.42) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL6543951 0.74 HSD17B10 (0.42) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL10379923 0.72 KMT2A (0.48) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL13857348 0.72 KMT2A (0.44) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL23051195 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL4958710 0.71 KDM4E (0.61) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL31171419 0.71 KDM4E (0.61) ALDH1A1KDM4EMAPTGAAMEN1
Water SCHEMBL8130350 0.71 POLB (0.53) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL2361637 0.69 KDM4E (0.41) ALDH1A1KDM4EMAPTGAAKMT2A

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
US-11857919-B2 Electrochemical capture of Lewis acid gases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-01-02 US disclosed
US-11857919-B2 Electrochemical capture of Lewis acid gases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-01-02 US disclosed
US-11219858-B2 Electrochemical capture of Lewis acid gases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-01-11 US disclosed
US-20210060485-A1 ELECTROCHEMICAL CAPTURE OF LEWIS ACID GASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-04 US disclosed