SCHEMBL5313804

SCHEMBL5313804

O=[N+]([O-])c1ccc(C2=CC=C(C3=NNCC3)C(=S)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MCL1 Q07820 2/20 0.35
POLB P06746 2/20 0.35
GFER P55789 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
RECQL P46063 1/20 0.34
APOBEC3G Q9HC16 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
XDH P47989 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL3323934 0.78 CA12 (0.43) MAPTMEN1KMT2AGAAALDH1A1
Biphenyl SCHEMBL27762344 0.72 MAPK1 (0.49) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL4970947 0.62 HTR7 (0.44) MAPTMEN1KMT2ANPC1RAB9A
Piperazine SCHEMBL28533863 0.60 ADRB1 (0.58) MAPTL3MBTL1GAAALDH1A1MCL1
SCHEMBL5560748 0.60 AXL (0.59) MAPTMEN1KMT2AL3MBTL1GAA
SCHEMBL5980911 0.59 HSD17B10 (0.48) MAPTALDH1A1RECQLRAB9ACA12
SCHEMBL9122080 0.59 APP (0.50) MAPTL3MBTL1GAAALDH1A1MCL1
SCHEMBL28198 0.59 CA1 (0.67) MAPTGAAALDH1A1POLBRECQL
SCHEMBL6423919 0.59 CA1 (0.67) MAPTGAAALDH1A1POLBRECQL
SCHEMBL4789631 0.58 HTR2C (0.56)

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
WO-2007038425-A2 ANTI-VIRAL COMPOUINDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-04-05 WO disclosed