SCHEMBL7377119

SCHEMBL7377119

CCCS(=O)(=O)c1cc(C(=O)O)c(OC)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ADRA2A P08913 3/20 0.45
▸ DRD3 P35462 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ ADRA2C P18825 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL3313702 0.90 ADRA2A (0.53) KDM4ENPSR1ADRA2ADRD3TSHR
SCHEMBL29510768 0.90 ADRA2A (0.53) KDM4ENPSR1ADRA2ADRD3TSHR
Water SCHEMBL7373734 0.89 ADRA2A (0.52) KDM4ENPSR1ADRA2ADRD3TSHR
Ethylene Glycol SCHEMBL29225457 0.86 ADRA2A (0.50) KDM4ENPSR1ADRA2ADRD3TSHR
SCHEMBL7377807 0.81 KDM4E (0.52) KDM4ENPSR1ADRA2ADRD3TSHR
SCHEMBL10958648 0.81 KDM4E (0.52) KDM4ENPSR1ADRA2ADRD3TSHR
SCHEMBL10721933 0.81 PKM (0.56) KDM4ENPSR1LMNAALDH1A1KMT2A
SCHEMBL13395713 0.81 TSHR (0.47) KDM4ENPSR1ADRA2ADRD3TSHR
SCHEMBL28430952 0.79 LMNA (0.52) KDM4ENPSR1ADRA2ADRD3TSHR
SCHEMBL24694102 0.78 DRD2 (0.53) KDM4ENPSR1ADRA2ADRD3TSHR

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
US-4401822-A ANISEROTONINE AGENTS; APOMORPHINE ANTAGONIST SOCIETE DE'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE FRANCE (FR) 1983-08-30 — — US disclosed
US-4294828-A ANTIEMETIC AND ANTISEROTONIN SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE DE-FRANCE (FR) 1981-10-13 — — US disclosed
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