SCHEMBL11252175

SCHEMBL11252175

O=[N+]([O-])c1cccc(SP(=O)(O)Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.59
TSHR P16473 6/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
CA12 O43570 2/20 0.47
MMP2 P08253 2/20 0.47
ACP3 P15309 1/20 0.47
CA1 P00915 1/20 0.47
PTPRC P08575 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
TP53 P04637 1/20 0.44
ACHE P22303 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
FBP1 P09467 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL11252179 1.00 HSP90AA1 (0.59) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL1818189 0.75 HSP90AA1 (0.71) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL8574142 0.75 HSP90AA1 (0.71) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL20347051 0.75 HSP90AA1 (0.77) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL31405188 0.75 HSP90AA1 (0.77) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL288227 0.75 HSP90AA1 (1.00) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL30468119 0.75 HSP90AA1 (1.00) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL11356136 0.75 HSP90AA1 (0.77) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL31482901 0.75 HSP90AA1 (1.00) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL11252178 0.74 HSP90AA1 (0.42) HSP90AA1TSHRLMNAALDH1A1TDP1

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-4322414-A MITICIDES; APHIDICIDES; LARVICIDES VELSICOL CHEMICAL CORPORATION (US) 1982-03-30 US disclosed