SCHEMBL6619587

SCHEMBL6619587

CCCC[N+](CCCC)(CCCC)Cc1ccccc1.CCCC[N+](CCCC)(CCCC)Cc1ccccc1.O=S(=O)([O-])OOS(=O)(=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 2/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL6622487 0.93 DNM1 (0.39) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL28027706 0.91 DNM1 (0.44) DNM1MEN1KMT2ASMN1; SMN2TP53
Sulfuric Acid SCHEMBL2908891 0.91 DNM1 (0.49) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL331108 0.89 DNM1 (0.47) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL330958 0.89 DNM1 (0.47) DNM1MEN1KMT2ASMN1; SMN2TP53
Sulfuric Acid SCHEMBL2245785 0.89 DNM1 (0.47) DNM1MEN1KMT2ASMN1; SMN2TP53
Sulfuric Acid SCHEMBL2245787 0.88 DNM1 (0.46) DNM1MEN1KMT2ASMN1; SMN2TP53
Sulfuric Acid SCHEMBL17272951 0.86 DNM1 (0.45) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL331061 0.85 DNM1 (0.44) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL330995 0.85 DNM1 (0.44) DNM1MEN1KMT2ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985664-B1 Method of producing pyrrolidine derivatives TORAY FINECHEMICALS CO LTD (JP) 2004-03-31 EP disclosed
US-6479668-B1 Method of producing pyrrolidine derivatives TORAY INDUSTRIES, INC. (JP) 2002-11-12 US disclosed
US-6130338-A OXIDATING THE CORRESPONDING 3-PYRROLINE COMPOUND TO GIVE AN EPOXYPYRROLIDINE COMPOUND TORAY INDUSTRIES, INC. (JP) 2000-10-10 US disclosed
EP-0985664-A2 Method of producing pyrrolidine derivatives TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed