SCHEMBL10651014

SCHEMBL10651014

O=C(O)CCC(=O)c1cc(-n2ccnc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.48
ADH5 P11766 7/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
CYP3A4 P08684 2/20 0.38
BAZ2B Q9UIF8 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
IDO1 P14902 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL10647455 0.83 TBXAS1 (0.37) TBXAS1ADH5CYP3A4BAZ2BENPP2
SCHEMBL10645502 0.80 STING1 (0.39) TBXAS1ADH5CYP3A4BAZ2BHTT
SCHEMBL10648270 0.78 TBXAS1 (0.40) TBXAS1ADH5CYP3A4BAZ2BTDP1
SCHEMBL11015693 0.77 TBXAS1 (0.44) TBXAS1ADH5EGLN3CYP3A4BAZ2B
SCHEMBL11015694 0.77 TBXAS1 (0.44) TBXAS1ADH5EGLN3CYP3A4BAZ2B
SCHEMBL10724330 0.76 TBXAS1 (0.54) TBXAS1EGLN3CYP3A4
SCHEMBL10645714 0.75 CYP3A4 (0.36) TBXAS1ADH5CYP3A4BAZ2BTDP1
SCHEMBL10622131 0.74 TBXAS1 (0.63) TBXAS1ADH5CYP3A4BAZ2BENPP2
SCHEMBL10729453 0.74 TBXAS1 (0.46) TBXAS1ADH5EGLN3CYP3A4BAZ2B
SCHEMBL10663235 0.73 IDO1 (0.52) TBXAS1ADH5CYP3A4BAZ2BIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128502-B1 SUBSTITUTED 6-(THIEN-2-YL)-3(2H)-PYRIDAZINONES AND PROCESSES FOR THEIR PREPARATION A. Nattermann & Cie. GmbH (DE) 1988-08-31 EP disclosed
US-4643998-A Imidazolylalkylthienyl tetrahydropyridazines and processes for their use A. NATTERMAN & CIE GMBH (DE) 1987-02-17 US disclosed
EP-0128502-A1 Substituted 6-(thien-2-yl)-3(2H)-pyridazinones and processes for their preparation A. Nattermann & Cie. GmbH (DE) 1984-12-19 EP disclosed