SCHEMBL4664127

SCHEMBL4664127

C=CC(=O)Oc1cn(-c2ccccc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.49
HTR7 P34969 4/20 0.41
SCN9A Q15858 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TYMS P04818 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RORC P51449 4/20 0.38
HTR3A P46098 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL7431522 0.81 NR4A2 (0.56) NR4A2HTR7SCN9AHDAC1HDAC2
SCHEMBL11116979 0.79 NR4A2 (0.55) NR4A2KDM4ERORCCA12CA1
SCHEMBL27740513 0.77 LMNA (0.54) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL13335079 0.74 NR4A2 (0.50) NR4A2HTR7SCN9AHDAC1HDAC2
SCHEMBL29239344 0.74 KDM4E (0.44) TYMSALDH1A1KDM4ETHRATHRB
SCHEMBL27151553 0.72 KDM4E (0.44) TYMSALDH1A1KDM4ETHRB
SCHEMBL10720203 0.72 TYMS (0.56) TYMSALDH1A1KDM4ETHRATHRB
SCHEMBL11114973 0.72 KMT2A (0.55) NR4A2ALDH1A1KDM4ERORC
SCHEMBL27151557 0.72 KDM4E (0.43) TYMSALDH1A1KDM4ETHRB
SCHEMBL28878338 0.72 NR4A2 (0.55) NR4A2HTR7ALDH1A1KDM4ERORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032709-B1 METHOD AND APPARATUS FOR PRESERVING HUMAN SALIVA FOR TESTING SCHNEIDER DAVID R (US) 2008-06-11 EP claimed
EP-1032709-A4 METHOD AND APPARATUS FOR PRESERVING HUMAN SALIVA FOR TESTING SCHNEIDER DAVID R (US) 2007-01-10 EP claimed
EP-1032709-A1 METHOD AND APPARATUS FOR PRESERVING HUMAN SALIVA FOR TESTING Schneider, David R. (US) 2000-09-06 EP claimed
US-5968746-A KIT FOR DIRECT COLLECTION AND PRESERVATION OF SALIVA SAMPLE; INCLUDES IONIC SOLUTE WHICH WHEN DILUTED HAS OSMALITY OF PHYSIOLOGICAL FLUID AND ENZYME INHIBITOR TO PREVENT BREAKDOWN OF HYDROPHILIC COMPOUND TO BE TESTED; DRUG ABUSE SCHNEIDER DAVID R (US) 1999-10-19 US claimed
WO-1999027139-A1 METHOD AND APPARATUS FOR PRESERVING HUMAN SALIVA FOR TESTING SCHNEIDER DAVID R (US) 1999-06-03 WO claimed
EP-1032709-B1 METHOD AND APPARATUS FOR PRESERVING HUMAN SALIVA FOR TESTING SCHNEIDER DAVID R (US) 2008-06-11 EP disclosed