SCHEMBL2644762

SCHEMBL2644762

O=C1OC=C(O)C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SIRT1 Q96EB6 6/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
SIRT5 Q9NXA8 2/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 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
SCHEMBL2644701 0.81 KDM1A (0.34) KDM4EMEN1KMT2AGAASMN1; SMN2
SCHEMBL2660126 0.77
SCHEMBL16046136 0.74 MAPT (0.41) MAPTCYP3A4LMNATP53CYP1A2
SCHEMBL6486287 0.73 HTR2B (0.39) MAPTCYP3A4LMNATP53CYP1A2
SCHEMBL2646348 0.72 CUL4A (0.33) HTR2B
SCHEMBL10533506 0.72 MAPT (0.39) MAPTCYP3A4LMNATP53CYP1A2
SCHEMBL6672104 0.72 CUL4A (0.40) MAPTCYP3A4LMNATP53CYP1A2
SCHEMBL3865099 0.71 MAPT (0.37) MAPTCYP3A4LMNATP53CYP1A2
SCHEMBL10707636 0.69 MAPT (0.52) MAPTCYP3A4LMNATP53CYP1A2
SCHEMBL2645997 0.68 HTR2C (0.40) TP53HTR2BGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP disclosed
CN-1391574-A Pyrazolo [1, 5-d ] [1,2,4] triazine compounds for improving cognition MERCK SHARP & DOHME (GB) 2003-01-15 CN disclosed
US-6476030-B1 Pyrazolo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2002-11-05 US disclosed
EP-1235829-A2 PYRAZOLO 1,5-D] 1,2,4]TRIAZINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LTD. (GB) 2002-09-04 EP disclosed
US-6355638-B1 COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. (GB) 2002-03-12 US disclosed
EP-1121361-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS Merck Sharp & Dohme Limited (GB) 2001-08-08 EP disclosed
WO-2001038331-A2 PYRAZOLO[1,5-D][1,2,4]TRIAZINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2001-05-31 WO disclosed
WO-2000023449-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-04-27 WO disclosed