SCHEMBL9540428

SCHEMBL9540428

O=C(OCC[n+]1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.54
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
POLB P06746 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL9540331 0.87 TDP1 (0.61) TDP1LMNASMN1; SMN2ESR1ESR2
Bromide SCHEMBL9463996 0.85 TDP1 (0.59) TDP1LMNASMN1; SMN2ESR1ESR2
SCHEMBL811579 0.79 GAA (0.66) GAATDP1LMNASMN1; SMN2MAPT
SCHEMBL8968434 0.79 TDP1 (0.51) TDP1LMNASMN1; SMN2ESR1ESR2
SCHEMBL9465079 0.78 MAPT (0.46) GAALMNASMN1; SMN2MAPTPOLB
SCHEMBL9586204 0.78 HRH3 (0.52) TDP1LMNASMN1; SMN2MAPTPOLB
SCHEMBL811573 0.76 GAA (0.72) GAATDP1LMNASMN1; SMN2MAPT
SCHEMBL11245798 0.74 GAA (0.60) GAATDP1LMNASMN1; SMN2MAPT
SCHEMBL811557 0.74 GAA (0.70) GAATDP1LMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL11659941 0.74 PABPC1 (0.66) PABPC1SMN1; SMN2MAPTL3MBTL1NPC1

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
WO-1993002054-A1 ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
WO-1993002400-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed
WO-1993002054-A1 ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed