SCHEMBL5035106

SCHEMBL5035106

Cc1ccc(S(=O)(=O)NC(C)(C)CO)cc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ENPP3 O14638 1/20 0.40
LMNA P02545 1/20 0.40
KIF18A Q8NI77 1/20 0.40
PARG Q86W56 1/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL5035258 0.85 ALDH1A1 (0.51) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL5034910 0.82 KDM4E (0.56) L3MBTL1KDM4EALDH1A1SMN1; SMN2ENPP3
SCHEMBL5032668 0.77 ALDH1A1 (0.50) L3MBTL1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL5035917 0.76 MAPK1 (0.55) MAPK1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10282879 0.75 ALDH1A1 (0.56) L3MBTL1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL1939267 0.73 KDM4E (0.38) L3MBTL1KDM4EALDH1A1SMN1; SMN2ENPP3
SCHEMBL1805549 0.73 MAPK1 (0.55) MAPK1L3MBTL1KDM4ESMN1; SMN2MEN1
SCHEMBL4959356 0.73 MAPK1 (0.55) MAPK1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL1805024 0.73 MAPK1 (0.55) MAPK1L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20078764 0.72 ALDH1A1 (0.58) MAPK1L3MBTL1ALDH1A1SMN1; SMN2KMT2A

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
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed