SCHEMBL8480407

SCHEMBL8480407

CCC(O)Oc1cc(C)cc(OS(=O)(=O)c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.54
NAPRT Q6XQN6 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALPL P05186 1/20 0.34
MAPK1 P28482 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
SCHEMBL8476248 0.83 F2 (0.51) F2KMT2A
SCHEMBL8482545 0.81 F2 (0.44) F2
SCHEMBL8482824 0.81 F2 (0.52) F2NAPRTSMN1; SMN2ALDH1A1MAPT
SCHEMBL8481772 0.81 F2 (0.54) F2L3MBTL1ALDH1A1KMT2A
SCHEMBL8479180 0.81 F2 (0.44) F2
SCHEMBL5674314 0.79 F2 (0.55) F2NAPRTLMNAALDH1A1MAPT
SCHEMBL8481901 0.79 F2 (0.61) F2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5674366 0.78 F2 (0.66) F2
SCHEMBL8481453 0.78 F2 (0.53) F2NAPRTSMN1; SMN2ALDH1A1MAPT
SCHEMBL8480903 0.78 F2 (0.42) 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-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed