SCHEMBL9498960

SCHEMBL9498960

CCCCCCCCCCCCc1ccccc1CN(C)C.O=[N+]([O-])c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CA5A P35218 1/20 0.40
XBP1 P17861 2/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL9498966 1.00 MAPT (0.43) MAPTSMN1; SMN2MAPK1LMNAKMT2A
SCHEMBL9540268 0.82 NQO2 (0.45) MAPTSMN1; SMN2KMT2ACA2CA1
SCHEMBL133250 0.82 MAPT (0.42) MAPTSMN1; SMN2MAPK1LMNAKMT2A
SCHEMBL9186794 0.82 CHRNB2 (0.48) MAPTSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL8970666 0.80 SMN1; SMN2 (0.44) MAPTSMN1; SMN2MAPK1LMNAKMT2A
SCHEMBL9538932 0.79 ALDH1A1 (0.53) MAPTSMN1; SMN2LMNAKMT2AGAA
SCHEMBL9540381 0.79 MAPT (0.53) MAPTSMN1; SMN2MAPK1LMNAKMT2A
SCHEMBL9540386 0.79 MAPT (0.53) MAPTSMN1; SMN2MAPK1LMNAKMT2A
SCHEMBL9184321 0.78 KMT2A (0.41) MAPTSMN1; SMN2MAPK1LMNAKMT2A
SCHEMBL9657388 0.78 SIGMAR1 (0.51) MAPTSMN1; SMN2MAPK1KMT2AGAA

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-0321363-B1 NEW ELECTROSTATOGRAPHIC TONERS AND DEVELOPERS CONTAINING NEW CHARGE-CONTROL AGENTS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-03-31 EP disclosed
EP-0321363-A2 New electrostatographic toners and developers containing new charge-control agents EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-06-21 EP disclosed