SCHEMBL3426822

SCHEMBL3426822

O=c1c2cc(F)c(O)cc2oc2cc(O)c(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.49
FASN P49327 2/20 0.49
MMP1 P03956 1/20 0.49
PTPN1 P18031 1/20 0.49
ACE P12821 1/20 0.47
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
KDR P35968 2/20 0.41
FTO Q9C0B1 1/20 0.41
MCL1 Q07820 3/20 0.41
SNCA P37840 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL2318335 0.82 MAOA (0.66) MAOAFASNMMP1PTPN1ACE
SCHEMBL22031603 0.76 ALDH1A1 (0.74) MAOAKDRMCL1KDM4EALDH1A1
SCHEMBL6358791 0.75 MCL1 (0.61) MAOAFASNMMP1PTPN1ACE
SCHEMBL26766939 0.74 NPSR1 (0.67) ACHEFTOMCL1KDM4EALDH1A1
SCHEMBL26767094 0.72 PDE2A (0.68) MAOAKDM4EALDH1A1THRBHPGD
SCHEMBL14925261 0.72 ALDH1A1 (0.55) MCL1KDM4EALDH1A1CYP3A4THRB
SCHEMBL23117750 0.72 ALDH1A1 (0.55) MCL1KDM4EALDH1A1CYP3A4THRB
SCHEMBL20178964 0.72 MAOA (0.50) MAOAFASNMMP1PTPN1ACE
SCHEMBL12433440 0.71 MCL1 (0.54) MCL1KDM4EALDH1A1CYP3A4THRB
SCHEMBL31512480 0.71 MAOA (0.69) MAOAACEMCL1KDM4EALDH1A1

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
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
US-20050233467-A1 Visible wavelength fluorescent calcium indicators that are (i) leakage resistant and (ii) operate near membranes INVITROGEN CORP. 2005-10-20 US disclosed
US-20050054024-A1 Fluorescent assays for protein kinases NATIONAL INSTITUTES OF HEALTH 2005-03-10 US disclosed
WO-2004062475-A2 FLUORESCENT ASSAYS FOR PROTEIN KINASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2004-07-29 WO disclosed