SCHEMBL9644491

SCHEMBL9644491

c1ccc(C[n+]2cccc3ccccc32)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.63
BCHE P06276 11/20 0.63
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
MITF O75030 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
APOBEC3A P31941 1/20 0.52
KMT2A Q03164 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52

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
SCHEMBL1127587 0.89 ACHE (0.76) ACHEBCHEKDM4ENPC1MITF
SCHEMBL29729955 0.89 ACHE (0.76) ACHEBCHEKDM4ENPC1MITF
Hydrochloric Acid SCHEMBL1071121 0.88 ACHE (0.73) ACHEBCHEKDM4ENPC1MITF
Hydrochloric Acid SCHEMBL29943765 0.88 ACHE (0.73) ACHEBCHEKDM4ENPC1MITF
Bromide SCHEMBL1069897 0.88 ACHE (0.79) ACHEBCHEKDM4ENPC1MITF
SCHEMBL18320448 0.86 ACHE (0.67) ACHEBCHEKDM4ENPC1MITF
SCHEMBL20263107 0.83 ACHE (0.67) ACHEBCHEKDM4ENPC1MITF
SCHEMBL20657095 0.83 ACHE (0.67) ACHEBCHEKDM4ENPC1MITF
SCHEMBL18320515 0.82 ACHE (0.54) ACHEBCHEKDM4ENPC1MITF
SCHEMBL7026594 0.81 ACHE (0.56) ACHEBCHEKDM4ENPC1MITF

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
US-5147749-A Toners and developers containing n-substituted quinolinium salts as charge control agents EASTMAN KODAK COMPANY (US) 1992-09-15 US claimed
US-5147749-A Toners and developers containing n-substituted quinolinium salts as charge control agents EASTMAN KODAK COMPANY (US) 1992-09-15 US disclosed
US-5144036-A Heat resistant electrographic toners EASTMAN KODAK COMPANY (US) 1992-09-01 US disclosed