SCHEMBL8997331

SCHEMBL8997331

C[n+]1c2ccccc2c(C(=O)O)c2ccccc21.O=S(=O)([O-])F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AGTR1 P30556 3/20 0.36
METAP2 P50579 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL8997349 1.00 ACHE (0.44) ACHEKDM4EMEN1ALDH1A1CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL8332152 0.89 ACHE (0.41) ACHEKDM4EMEN1ALDH1A1CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL8332157 0.89 ACHE (0.41) ACHEKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL9397404 0.88 ACHE (0.53) ACHEKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL10695794 0.88 LMNA (0.47) ACHEKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL8975328 0.84 ACHE (0.40) ACHEAGTR1
SCHEMBL8975331 0.84 ACHE (0.40) ACHEAGTR1
SCHEMBL29380978 0.83 MAPT (0.41) ACHEKDM4ECYP1A2HPGDCYP2C19
SCHEMBL118743 0.83 MAPT (0.41) ACHEKDM4ECYP1A2HPGDCYP2C19
SCHEMBL9669290 0.82 ACHE (0.38) ACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729030-A1 Chemiluminescence method KYOTO DAIICHI KAGAKU CO., LTD. (JP) 1996-08-28 EP disclosed