SCHEMBL11252178

SCHEMBL11252178

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
TSHR P16473 4/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.33
ACP3 P15309 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
MMP2 P08253 1/20 0.31
PTPRC P08575 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TP53 P04637 1/20 0.30

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 0.74 HSP90AA1 (0.59) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL11252175 0.74 HSP90AA1 (0.59) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL17347353 0.70 TSHR (0.55) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL2637263 0.69 TSHR (0.38) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL3397334 0.69 TSHR (0.38) TSHRLMNAALDH1A1TDP1ALOX15
SCHEMBL2637760 0.66 GRM8 (0.44) TSHRLMNAALDH1A1ACP3CA12
SCHEMBL5487192 0.66 SRC (0.39) TSHRLMNAALDH1A1ALOX15ACP3
SCHEMBL13815840 0.65 TSHR (0.77) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL9733865 0.64 TSHR (0.74) HSP90AA1TSHRLMNAALDH1A1TDP1
SCHEMBL13815837 0.63 ALDH1A1 (0.65) TSHRLMNAALDH1A1TDP1ALOX15

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