SCHEMBL9539266

SCHEMBL9539266

C[N+](C)(CCOc1ccc2ccccc2c1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
PPARG P37231 3/20 0.52
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
APAF1 O14727 2/20 0.50
USP2 O75604 2/20 0.50
LMNA P02545 2/20 0.50
ERBB2 P04626 2/20 0.50
TP53 P04637 2/20 0.50
FYN P06241 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CYP3A4 P08684 2/20 0.50
CHRM5 P08912 2/20 0.50

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
SCHEMBL9183409 0.92 ALOX5 (0.47) ALOX5PPARGTDP1KDM4EMAPK1
SCHEMBL9187376 0.85 CHRM2 (0.50) PPARGTDP1KDM4EMAPK1ALDH1A1
Bephenium SCHEMBL44590 0.84 CHRM2 (0.58) TDP1MAPK1ALDH1A1MEN1KMT2A
Bephenium SCHEMBL9118297 0.82 HTT (0.58) TDP1KDM4EMAPK1ALDH1A1MEN1
Bephenium SCHEMBL9181734 0.82 SMN1; SMN2 (0.59) TDP1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL9180609 0.76 DNM1 (0.59) TDP1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL6425545 0.75 ALOX5 (0.67) ALOX5PPARGTDP1KDM4EMAPK1
SCHEMBL9324544 0.75 SMN1; SMN2 (0.70) TDP1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL24465407 0.74 CHRNA7 (0.65) KDM4EMAPK1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9179821 0.74 MEN1 (0.60) TDP1KDM4EMAPK1ALDH1A1MEN1

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
WO-1993002398-A1 TONERS AND DEVELOPERS CONTAINING ETHER-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
WO-1993002398-A1 TONERS AND DEVELOPERS CONTAINING ETHER-CONTAINING QUATERNARY AMMONIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed