SCHEMBL10730810

SCHEMBL10730810

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.36
▸ CTSA P10619 1/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ ADH5 P11766 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CD38 P28907 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HMOX2 P30519 1/20 0.32
▸ PORCN Q9H237 2/20 0.31

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
SCHEMBL10646528 0.89 TBXAS1 (0.38) TBXAS1CTSACYP3A4BAZ2BKDM4E
SCHEMBL10724660 0.83 MMP2 (0.36) TBXAS1CTSACYP3A4BAZ2BKDM4E
SCHEMBL10724974 0.81 TBXAS1 (0.34) TBXAS1CTSACYP3A4BAZ2BKDM4E
SCHEMBL10724289 0.80 HMOX2 (0.41) TBXAS1CTSACYP3A4KDM4EHMOX2
SCHEMBL10729354 0.78 STING1 (0.40) TBXAS1CYP3A4BAZ2B
SCHEMBL10730531 0.77 CYP3A4 (0.35) TBXAS1CYP3A4BAZ2BKDM4ENAMPT
SCHEMBL10729453 0.75 TBXAS1 (0.46) TBXAS1CYP3A4BAZ2BADH5HTT
SCHEMBL10726954 0.74 STING1 (0.42) TBXAS1CYP3A4BAZ2BKDM4ENAMPT
SCHEMBL10729834 0.72 STING1 (0.44) TBXAS1CYP3A4BAZ2BKDM4EADH5
SCHEMBL10724468 0.71 POLB (0.48) TBXAS1CYP3A4KDM4EHMOX2

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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