SCHEMBL8649933

SCHEMBL8649933

COc1ccccc1S(=O)(=O)Nc1cc(C)cc(OCCNc2ccnnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.60
ALPL P05186 5/20 0.46
RECQL P46063 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8648824 0.86 F2 (0.79) F2
SCHEMBL7371001 0.80 F2 (0.69) F2ALPL
SCHEMBL7358686 0.80 F2 (0.57) F2ALPLSMN1; SMN2LMNA
SCHEMBL7373467 0.80 F2 (0.61) F2ALPLALDH1A1SMN1; SMN2LMNA
SCHEMBL8544277 0.79 F2 (0.77) F2
SCHEMBL8548466 0.79 F2 (0.76) F2
SCHEMBL8542043 0.79 F2 (0.76) F2
SCHEMBL7333924 0.79 F2 (0.76) F2
SCHEMBL7411909 0.78 F2 (0.61) F2ALPLSMN1; SMN2LMNA
SCHEMBL8545038 0.78 F2 (0.71) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed