SCHEMBL8633507

SCHEMBL8633507

CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)C1=C(O)CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 1/20 0.40
KCNJ3 P48549 1/20 0.40
HPD P32754 2/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
NR1I2 O75469 1/20 0.35
CACNA1B Q00975 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL8634935 0.84 ALDH1A1 (0.37) KCNJ6KCNJ3KDM4EL3MBTL1MEN1
SCHEMBL12336755 0.77 KDM4E (0.54) HPDKDM4EPOLBMAPTTHRB
SCHEMBL8628790 0.73 ALDH1A1 (0.41) KDM4EPOLBMAPTTHRBRECQL
SCHEMBL23203438 0.69 KCNJ6 (0.49) KCNJ6KCNJ3KDM4EMAPTTRPV4
SCHEMBL30783211 0.69 KCNJ6 (0.49) KCNJ6KCNJ3KDM4EMAPTTRPV4
SCHEMBL8848783 0.67 KDM4E (0.49) KDM4ENR1I2CACNA1BALDH1A1GAA
SCHEMBL9779877 0.67 KMT2A (0.50) HPDKDM4EPOLBMAPTTHRB
SCHEMBL12345802 0.66 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL2061070 0.66 ALDH1A1 (0.47) KCNJ6KCNJ3KDM4EPOLBMAPT
SCHEMBL2062193 0.66 HSD11B1 (0.56) KCNJ6KCNJ3MAPTL3MBTL1MEN1

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
WO-1997003045-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-30 WO claimed
EP-0850218-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-07-01 EP disclosed
WO-1997003045-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-30 WO disclosed