SCHEMBL9494532

SCHEMBL9494532

CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.O=S(=O)(O)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPK1 P28482 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TP53 P04637 2/20 0.62
HTT P42858 4/20 0.60
PSMD14 O00487 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MMP2 P08253 1/20 0.46
MC4R P32245 1/20 0.46
RAD52 P43351 1/20 0.46
KCNH2 Q12809 3/20 0.42
LMNA P02545 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
MLNR O43193 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
SCHEMBL331114 0.91 DNM1 (0.72) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Benzododecinium SCHEMBL330680 0.91 DNM1 (0.72) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL332022 0.91 DNM1 (0.72) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Cetalkonium SCHEMBL27537726 0.90 DNM1 (0.70) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL9494526 0.89 DNM1 (0.65) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Benzododecinium SCHEMBL2149522 0.89 DNM1 (0.65) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL2149596 0.89 DNM1 (0.65) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL2150486 0.89 DNM1 (0.65) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL6235783 0.87 DNM1 (0.59) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL6235268 0.87 DNM1 (0.59) DNM1MEN1KMT2AMAPK1SMN1; SMN2

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 3 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
US-4851561-A CHARGE CONTROL AGENTS FOR ELECTROSTATOGRAPHY EASTMAN KODAK COMPANY (US) 1989-07-25 US 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