SCHEMBL8814191

SCHEMBL8814191

Nc1ccc2ccc(=O)oc2c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MCL1 Q07820 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PRKCB P05771 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ PRKACG P22612 1/20 0.44

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
SCHEMBL8807829 0.73 HSD17B10 (0.56) KDM4EALDH1A1HPGDMCL1CYP3A4
SCHEMBL8164868 0.72 ALDH1A1 (0.46) KDM4EALDH1A1HPGDCYP3A4MAPT
SCHEMBL31287389 0.70 ALDH1A1 (0.31) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL31121843 0.70 ALDH1A1 (0.31) KDM4EALDH1A1MAPTHSD17B10GAA
SCHEMBL9180513 0.68 CYP2A6 (0.55) KDM4EALDH1A1HPGDMCL1CYP3A4
SCHEMBL8816527 0.68 KDM4E (0.39) KDM4EALDH1A1HPGDMCL1MAPT
Hydrochloric Acid SCHEMBL7409340 0.67 CYP2A6 (0.53) KDM4EALDH1A1HPGDMCL1CYP3A4
SCHEMBL8816911 0.67 CA9 (0.50) KDM4EALDH1A1HPGDMCL1CYP3A4
SCHEMBL5181911 0.66 ALDH1A1 (0.41) KDM4EALDH1A1HPGDCYP3A4MAPT
SCHEMBL313224 0.66 CYP2D6 (0.46) ALDH1A1HPGDCYP3A4HSD17B10CYP2D6

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
US-5696157-A Sulfonated derivatives of 7-aminocoumarin MOLECULAR PROBES, INC. (US) 1997-12-09 — — US disclosed
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