SCHEMBL17589737

SCHEMBL17589737

C=C1NC(=O)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C=C1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ PKM P14618 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPT P10636 7/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ BRAF P15056 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ IL33 O95760 2/20 0.41
▸ CDK2 P24941 1/20 0.40
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTRA2 O43464 1/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38

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
SCHEMBL17589733 0.81 IL33 (0.43) KMT2AKDM4EPKMNPSR1MAPT
SCHEMBL17589742 0.79 IL33 (0.45) KMT2AKDM4EPKMNPSR1MAPT
SCHEMBL623099 0.71 IL33 (0.43) KMT2AKDM4EPKMNPSR1MAPT
SCHEMBL17589738 0.70 IL33 (0.46) KMT2AKDM4EPKMNPSR1MAPT
SCHEMBL17589732 0.70 IL33 (0.44) KMT2AKDM4EPKMNPSR1MAPT
SCHEMBL17589740 0.70 IL33 (0.46) KMT2AKDM4EPKMNPSR1MAPT
SCHEMBL626204 0.68 IL33 (0.46) KMT2AKDM4EPKMNPSR1MAPT
SCHEMBL18862278 0.68 MAPT (0.59) KMT2AKDM4EPKMMAPTALDH1A1
SCHEMBL16316318 0.68 ALDH1A1 (0.49) KMT2AKDM4EPKMNPSR1MAPT
SCHEMBL623536 0.68 ALDH1A1 (0.52) KMT2AKDM4EPKMNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 — — US disclosed
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