SCHEMBL27945720

SCHEMBL27945720

CC(=O)OCc1nc(C(C)=O)c2ccccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CFD P00746 2/20 0.38
BAZ2B Q9UIF8 5/20 0.37
BAZ2A Q9UIF9 5/20 0.37
BRD4 O60885 2/20 0.37
BRD9 Q9H8M2 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
GLA P06280 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
SCHEMBL18549701 0.80 KDM4E (0.46) GUCY1A1GUCY1B1ALDH1A1KMT2AKDM4E
SCHEMBL12480878 0.80 KMT2A (0.47) GUCY1A1GUCY1B1ALDH1A1KMT2AKDM4E
SCHEMBL12480365 0.80 CFD (0.43) GUCY1A1GUCY1B1ALDH1A1KMT2AKDM4E
Lithium Ion SCHEMBL27927366 0.78 GUCY1A1 (0.42) GUCY1A1GUCY1B1ALDH1A1KMT2AKDM4E
SCHEMBL20674150 0.74 BAZ2B (0.46) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL3897812 0.74 KMT2A (0.49) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL15596018 0.73 KMT2A (0.44) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL5354841 0.72 KDM4E (0.56) ALDH1A1KMT2AKDM4ECYP1A2CYP2C19
SCHEMBL4498121 0.71 MAPT (0.63) GUCY1A1GUCY1B1ALDH1A1KMT2AKDM4E
Acetic Acid SCHEMBL27927368 0.71 MAPK1 (0.43) ALDH1A1KMT2AKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103402996-B Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2015-02-11 CN disclosed
CN-103402996-A Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2013-11-20 CN disclosed