SCHEMBL11322982

SCHEMBL11322982

C=CS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
POLB P06746 2/20 0.50
HTT P42858 2/20 0.50
PTGS2 P35354 3/20 0.48
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TTR P02766 1/20 0.43
TLR9 Q9NR96 1/20 0.43
PKM P14618 1/20 0.43
TBXA2R P21731 2/20 0.42
PTGS1 P23219 1/20 0.42
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 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
SCHEMBL11240386 0.83 TDP1 (0.57) TDP1POLBHTTPTGS2CYP19A1
SCHEMBL2434154 0.81 SMN1; SMN2 (0.62) TDP1POLBHTTPTGS2CYP19A1
SCHEMBL3071086 0.80 TDP1 (0.57) TDP1POLBHTTPTGS2CYP19A1
SCHEMBL29800437 0.80 TDP1 (0.57) TDP1POLBHTTPTGS2CYP19A1
SCHEMBL5188245 0.80 TDP1 (0.61) TDP1POLBHTTPTGS2CYP19A1
SCHEMBL23833731 0.80 TDP1 (0.57) TDP1POLBHTTPTGS2CYP19A1
SCHEMBL29451712 0.78 ALDH1A1 (0.66) TDP1POLBHTTPTGS2CYP19A1
SCHEMBL11327832 0.76 L3MBTL1 (0.58) ALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL1259655 0.76 TDP1 (0.64) TDP1POLBHTTPTGS2CYP19A1
SCHEMBL11330213 0.75 SMN1; SMN2 (0.55) HTTALDH1A1SMN1; SMN2PKMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed