SCHEMBL9770823

SCHEMBL9770823

CCCCCC(=O)NC(=O)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 3/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CTSD P07339 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
PPIA P62937 1/20 0.50
ALPL P05186 1/20 0.49
GAA P10253 1/20 0.47
HPGD P15428 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
SCHEMBL9770798 0.99 MEN1 (0.70) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9770719 0.96 MEN1 (0.69) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9770714 0.91 LMNA (0.65) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9770834 0.79 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9439903 0.78 KMT2A (0.58) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5508331 0.78 HTT (0.62) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL28194182 0.78 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL11722488 0.77 KMT2A (0.55) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9172165 0.76 NAAA (0.63) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9647801 0.76 NAAA (0.63) MEN1KMT2AKDM4EALDH1A1LMNA

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-4987135-A Leukemia, melanoma ISHIHARA SANGYO KAISHA LTD. (JP) 1991-01-22 US claimed