SCHEMBL9540331

SCHEMBL9540331

O=C(OCC[n+]1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 2/20 0.58
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.46
F2 P00734 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
Bromide SCHEMBL9463996 0.98 TDP1 (0.59) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL8968434 0.91 TDP1 (0.51) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL9540428 0.87 PABPC1 (0.54) TDP1LMNAKMT2ASMN1; SMN2ESR1
SCHEMBL9586204 0.83 HRH3 (0.52) TDP1LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL10752689 0.81 TDP1 (0.55) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL137486 0.80 TDP1 (0.83) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL13043223 0.80 TDP1 (0.64) TDP1LMNAMAPK1HIF1ASLC6A2
Hydrochloric Acid SCHEMBL10655533 0.80 TDP1 (0.53) TDP1LMNAMAPK1HIF1ASLC6A2
Ethylene Glycol SCHEMBL226024 0.79 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL547137 0.78 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2

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