SCHEMBL9760973

SCHEMBL9760973

CN(C)c1nscc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
CCR6 P51684 1/20 0.33
HCAR3 P49019 1/20 0.33
KMT2A Q03164 2/20 0.33
TXNRD1 Q16881 2/20 0.33
TXNRD3 Q86VQ6 2/20 0.33
TXNRD2 Q9NNW7 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PTPN11 Q06124 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10341787 0.69
SCHEMBL28311107 0.69
SCHEMBL11565315 0.69
SCHEMBL10400603 0.69 MAPT (0.41) MAPTALDH1A1RAB9AKDM4EHTT
SCHEMBL11563958 0.69 ALDH1A1 (0.40) MAPTALDH1A1KDM4EHTTKMT2A
SCHEMBL10400102 0.67 MAPT (0.41) MAPTALDH1A1RAB9AHTTKMT2A
SCHEMBL25468130 0.66
SCHEMBL14938710 0.64 CTSB (0.49) MAPTALDH1A1KDM4EHTTTXNRD1
SCHEMBL937505 0.64 MERTK (0.49) MAPTHTTTXNRD1GAATDP1
SCHEMBL4874074 0.64 ALDH1A1 (0.41) MAPTALDH1A1RAB9AKDM4EHTT

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-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed