SCHEMBL4609299

SCHEMBL4609299

Nc1cc(-c2ccccc2)ccc1[N+]([O-])=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
MAOA P21397 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL4608252 0.81 CRHBP (0.42) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL31570099 0.81 MAPT (0.58) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL720554 0.81 MAPT (0.58) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL4608316 0.74 ABCB1 (0.44) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL30392415 0.71 TDP1 (0.74) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL653071 0.71 TDP1 (0.74) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL27829121 0.71 TDP1 (0.74) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL30255693 0.70 TDP1 (0.81) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL653911 0.70 TDP1 (0.81) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3973537 0.70 MAPT (0.69) MAPTMEN1KMT2AHSD17B10ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 US disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 WO disclosed