SCHEMBL8672836

SCHEMBL8672836

CC(=O)CC(=O)Nc1ccc(C(N)=O)c(NC(=O)CC(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ POLB P06746 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SIRT2 Q8IXJ6 2/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TERT O14746 1/20 0.41

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
SCHEMBL27466426 0.84 MEN1 (0.51) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL7376765 0.81 SIRT2 (0.59) MEN1KMT2AKDM4EALDH1A1CA1
SCHEMBL5947666 0.78 KDM4E (0.58) KMT2AKDM4EALDH1A1POLBSIRT2
SCHEMBL2913783 0.77 POLB (0.61) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL593172 0.76 MAPT (0.74) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL2568204 0.76 CA1 (0.60) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL2904641 0.75 KMT2A (0.55) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL2907649 0.75 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL5368510 0.75 KMT2A (0.55) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL2913865 0.75 MEN1 (0.61) MEN1KMT2AKDM4EALDH1A1CYP1A2

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-5803962-A Disazo pigment composition and printing ink DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-09-08 — — US disclosed
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