SCHEMBL8520665

SCHEMBL8520665

COc1ccc(CN(c2ccc(F)c([N+](=O)[O-])c2)S(=O)(=O)CCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
CNR2 P34972 3/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.40
CNR1 P21554 2/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
VCAM1 P19320 1/20 0.39
BMP1 P13497 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
TXNRD1 Q16881 1/20 0.38
APLNR P35414 1/20 0.38
MEN1 O00255 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
SCHEMBL31282556 0.88 ALDH1A1 (0.45) PTPN1PTPN12PTPN22CNR2ALDH1A1
SCHEMBL8440046 0.81 VCAM1 (0.47) ALDH1A1LMNAMAPTNPSR1VCAM1
SCHEMBL21930667 0.77 TAS2R14 (0.56) CNR2LMNACNR1VCAM1TAS2R14
SCHEMBL30261913 0.77 TAS2R14 (0.56) CNR2LMNACNR1VCAM1TAS2R14
SCHEMBL7540192 0.75 TXNRD1 (0.55) ALDH1A1LMNAMAPTNPSR1VCAM1
SCHEMBL24031799 0.72 KMT2A (0.40) ALDH1A1LMNAMAPTMMP1MMP9
SCHEMBL22588394 0.70 PTGES (0.55) CNR2LMNAMAPTNPSR1MEN1
SCHEMBL14574855 0.70 CNR2 (0.43) PTPN22CNR2ALDH1A1LMNACNR1
SCHEMBL29744326 0.70 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1VCAM1MEN1
SCHEMBL3192746 0.70 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1VCAM1MEN1

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-5874382-A Cyclic sulfonamide herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-02-23 US disclosed
US-5750471-A PREEMERGENCE, POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-12 US disclosed