SCHEMBL9703408

SCHEMBL9703408

NN(c1ccc(Oc2ccccc2)cc1)c1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
SOS1 Q07889 1/20 0.56
LMNA P02545 2/20 0.51
PGR P06401 8/20 0.50
NR3C1 P04150 7/20 0.50
FFAR1 O14842 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HTR6 P50406 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9323430 0.86 HTT (0.78) HTTSMN1; SMN2SOS1LMNAPGR
SCHEMBL9704374 0.85 PKM (0.61) HTTSMN1; SMN2LMNAPGRNR3C1
SCHEMBL11415437 0.84 HTT (0.81) HTTSMN1; SMN2SOS1LMNAPGR
SCHEMBL6848913 0.84 HTT (0.74) HTTSMN1; SMN2SOS1LMNAPGR
SCHEMBL17559302 0.84 HTT (0.81) HTTSMN1; SMN2SOS1LMNAPGR
SCHEMBL146566 0.84 HTT (0.81) HTTSMN1; SMN2SOS1LMNAPGR
SCHEMBL6123058 0.84 HTT (0.81) HTTSMN1; SMN2SOS1LMNAPGR
(Phenylsulfonyl)Benzene SCHEMBL2126656 0.82 HTT (0.70) HTTSMN1; SMN2SOS1LMNAPGR
Biphenyl SCHEMBL1071652 0.80 HTT (0.70) HTTSMN1; SMN2SOS1LMNAPGR
SCHEMBL9705245 0.79 GAA (0.57) HTTSMN1; SMN2CA1CA2CA9

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-5109036-A With alkysulfonylphenylhydrazine accelerator; storage stability CECA, S.A. (FR) 1992-04-28 US disclosed
EP-0443916-A1 Anaerobically curing adhesive compositions CECA S.A. (FR) 1991-08-28 EP disclosed