SCHEMBL11250657

SCHEMBL11250657

Cc1c([N+](=O)[O-])ccc(Cl)c1S

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.42
VCAM1 P19320 7/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11330182 0.85 TDP1 (0.52) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL4864448 0.82 TDP1 (0.57) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL899707 0.81 TDP1 (0.52) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL30256667 0.80 TDP1 (0.67) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL278506 0.80 TDP1 (0.67) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL2002527 0.78 TDP1 (0.53) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL11594677 0.77 TSHR (0.52) TDP1TSHRSMN1; SMN2CYP3A4MAPT
SCHEMBL27917309 0.77 TDP1 (0.52) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL11040922 0.77 TDP1 (0.52) TDP1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL27751205 0.77 TDP1 (0.52) TDP1TSHRSMN1; SMN2MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4349377-A Phenoxyphenylthioalkanecarboxylic acid amides and their use as herbicides and plant growth regulants CIBA-GEIGY CORPORATION (US) 1982-09-14 US disclosed
EP-0000359-B1 PHENOXY-PHENYLSULFINYL-AND-SULFONYLALKANECARBOXYLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS. CIBA-GEIGY AG (CH) 1981-10-21 EP disclosed
EP-0000351-A1 Phenoxy-phenyl-thio-alkanecarboxylic acid derivatives method for their preparation and their use as herbicides and plant growth regulators CIBA-GEIGY AG (CH) 1979-01-24 EP disclosed