SCHEMBL10646528

SCHEMBL10646528

CC(CC(=O)O)C(=O)c1ccc(-n2ccnc2)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 5/20 0.38
▸ CYP3A4 P08684 3/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.37
▸ CTSA P10619 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ADH5 P11766 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GFER P55789 1/20 0.34
▸ CD38 P28907 1/20 0.33
▸ HMOX2 P30519 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PORCN Q9H237 2/20 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
SCHEMBL10730810 0.89 TBXAS1 (0.36) TBXAS1CYP3A4BAZ2BCTSAKDM4E
SCHEMBL10724660 0.86 MMP2 (0.36) TBXAS1CYP3A4BAZ2BCTSAKDM4E
SCHEMBL10724974 0.84 TBXAS1 (0.34) TBXAS1CYP3A4BAZ2BCTSAKDM4E
SCHEMBL10729354 0.84 STING1 (0.40) TBXAS1CYP3A4BAZ2B
SCHEMBL10724289 0.83 HMOX2 (0.41) TBXAS1CYP3A4CTSAKDM4EHMOX2
SCHEMBL10730531 0.82 CYP3A4 (0.35) TBXAS1CYP3A4BAZ2BKDM4EADH5
SCHEMBL10729453 0.77 TBXAS1 (0.46) TBXAS1CYP3A4BAZ2BADH5HTT
SCHEMBL10646011 0.77 KMT2A (0.33) CYP3A4KDM4EHTT
SCHEMBL10726954 0.77 STING1 (0.42) TBXAS1CYP3A4BAZ2BKDM4EADH5
SCHEMBL10625333 0.76 CYP3A4 (0.58) TBXAS1CYP3A4BAZ2BADH5HTT

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
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