SCHEMBL9013737

SCHEMBL9013737

N#CSc1nsnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
APP P05067 1/20 0.39
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
MAPT P10636 8/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
XDH P47989 1/20 0.37
GAA P10253 2/20 0.36
MGAM O43451 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
SCHEMBL8789829 0.83 MAPT (0.39) TXNRD1TXNRD3TXNRD2APPABCC8
SCHEMBL8789881 0.77 MYC (0.50) MYCWDR5ALDH1A1HPGD
SCHEMBL8788935 0.77 MYC (0.50) MYCWDR5ALDH1A1MEN1KMT2A
SCHEMBL8789362 0.77 ERBB2 (0.40) MYCWDR5ALDH1A1MEN1KMT2A
SCHEMBL9013799 0.75 MYC (0.35) MYCWDR5MAPTALDH1A1HPGD
SCHEMBL8790492 0.74 MYC (0.53) MYCWDR5MAPK1POLBRAB9A
SCHEMBL7291266 0.69 MAPT (0.50) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL16984816 0.68 ALDH1A1 (0.45) TXNRD1TXNRD3TXNRD2APPMAPT
SCHEMBL8789920 0.67 ADORA1 (0.44) MYCWDR5SMN1; SMN2RAB9AKDM4E
SCHEMBL4468508 0.66 ALDH1A1 (0.46) APPMAPTALDH1A1MEN1KMT2A

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
WO-1996019467-A1 SUBSTITUTED THIADIAZOLES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS THE DOW CHEMICAL COMPANY (US) 1996-06-27 WO disclosed
US-5488060-A Substituted thiadiazoles, compositions containing them and their use as antimicrobial and marine antifouling agents THE DOW CHEMICAL COMPANY (US) 1996-01-30 US disclosed