SCHEMBL10724289

SCHEMBL10724289

O=C(O)CC(C(=O)c1ccc(-n2ccnc2)s1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HMOX2 P30519 1/20 0.41
▸ TBXAS1 P24557 4/20 0.40
▸ ACP1 P24666 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CTSA P10619 1/20 0.36
▸ CYP19A1 P11511 3/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ PORCN Q9H237 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
SCHEMBL10724468 0.84 POLB (0.48) HMOX2TBXAS1ACP1CYP3A4CYP19A1
SCHEMBL10646528 0.83 TBXAS1 (0.38) HMOX2TBXAS1CYP3A4CTSAKDM4E
SCHEMBL10724660 0.80 MMP2 (0.36) HMOX2TBXAS1CYP3A4CTSAKDM4E
SCHEMBL10730810 0.80 TBXAS1 (0.36) HMOX2TBXAS1CYP3A4CTSAKDM4E
SCHEMBL10724974 0.78 TBXAS1 (0.34) HMOX2TBXAS1CYP3A4CTSACYP19A1
SCHEMBL10729453 0.74 TBXAS1 (0.46) TBXAS1CYP3A4
SCHEMBL10729354 0.72 STING1 (0.40) TBXAS1CYP3A4
SCHEMBL10730531 0.71 CYP3A4 (0.35) TBXAS1CYP3A4KDM4E
SCHEMBL10726954 0.71 STING1 (0.42) HMOX2TBXAS1CYP3A4KDM4E
SCHEMBL10729834 0.69 STING1 (0.44) TBXAS1CYP3A4CYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4643998-A Imidazolylalkylthienyl tetrahydropyridazines and processes for their use A. NATTERMAN & CIE GMBH (DE) 1987-02-17 — — US disclosed
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