SCHEMBL7899172

SCHEMBL7899172

O=Cc1ccncc1C(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.38
TDP1 Q9NUW8 2/20 0.36
SIRT3 Q9NTG7 1/20 0.36
MAPT P10636 2/20 0.35
GSK3B P49841 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PLOD2 O00469 2/20 0.34
PLOD3 O60568 2/20 0.34
PLOD1 Q02809 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33

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
SCHEMBL10526340 0.78 KDM4C (0.50) ERN1TDP1SIRT3MAPTCCNC
SCHEMBL29956489 0.78 KDM4C (0.50) ERN1TDP1SIRT3MAPTCCNC
SCHEMBL16217237 0.77 TDP1 (0.43) ERN1TDP1SIRT3MAPTCCNC
SCHEMBL31146203 0.75 KDM4E (0.47) TDP1SIRT3MAPTGSK3BNPC1
SCHEMBL15780388 0.74 CES1 (0.47) ERN1TDP1KDM4EMEN1ALDH1A1
SCHEMBL5834304 0.72 ALDH1A1 (0.56) ERN1TDP1SIRT3POLBKDM4E
SCHEMBL14097049 0.72 NUDT1 (0.44) TDP1SIRT3CCNCCDK8KDM4E
SCHEMBL3451540 0.71 SIRT3 (0.39) TDP1SIRT3MAPTGSK3BNPC1
SCHEMBL30800801 0.71 ERN1 (0.48) ERN1NPC1POLBKDM4CCCNT1
SCHEMBL9274800 0.71 ERN1 (0.48) ERN1NPC1POLBKDM4CCCNT1

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-6265220-B1 NON-IMMUNOCHEMICAL METHOD BY REACTING A COMPOUND COMPRISING CIS-1,4-DIOXO-2-BUTENE MOIETY OR HYDROLYTICALLY DERIVED PRECURSOR WITH HOMOCYSTEINE, THEN DETECTING PRODUCT WITHOUT SEPARATION FROM LIQUID ULLMAN EDWIN F (US) 2001-07-24 US disclosed
WO-2000000821-A1 ASSAY FOR HOMOCYSTEINE ULLMAN EDWIN F (US) 2000-01-06 WO disclosed