SCHEMBL11601005

SCHEMBL11601005

O=[N+]([O-])c1cccc(OP(O)(=S)S)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
HGFAC Q04756 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 2/20 0.42

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
SCHEMBL1759204 0.82 CA1 (0.64) F2TSHRLMNAALDH1A1ALOX15
SCHEMBL6006252 0.82 CES2 (0.64) F2TSHRLMNAALDH1A1ALOX15
SCHEMBL1759207 0.82 CA1 (0.64) F2TSHRLMNAALDH1A1ALOX15
SCHEMBL28841894 0.80 CA1 (0.66) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL5487184 0.78 TSHR (0.57) F2TSHRLMNAALDH1A1ALOX15
SCHEMBL28058604 0.77 CES2 (0.53) F2TSHRLMNAALDH1A1ALOX15
SCHEMBL28574633 0.76 MEN1 (0.53) F2TSHRLMNAALDH1A1ALOX15
SCHEMBL27666671 0.76 NPSR1 (0.53) F2TSHRLMNAALDH1A1ALOX15
SCHEMBL28200751 0.76 MEN1 (0.50) F2TSHRLMNAALDH1A1ALOX15
SCHEMBL28033984 0.76 TSHR (0.53) F2TSHRLMNAALDH1A1ALOX15

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-4073894-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1978-02-14 US disclosed