SCHEMBL10724468

SCHEMBL10724468

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ TBXAS1 P24557 2/20 0.45
▸ HMOX2 P30519 1/20 0.41
▸ GLS O94925 2/20 0.38
▸ ACP1 P24666 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP19A1 P11511 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 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
SCHEMBL10724289 0.84 HMOX2 (0.41) TBXAS1HMOX2ACP1CYP3A4CYP19A1
SCHEMBL10729354 0.82 STING1 (0.40) TBXAS1CYP3A4
SCHEMBL10726954 0.80 STING1 (0.42) TBXAS1HMOX2CYP3A4SMN1; SMN2MEN1
SCHEMBL10729834 0.78 STING1 (0.44) TBXAS1CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL10729453 0.76 TBXAS1 (0.46) TBXAS1CYP3A4MEN1KMT2A
SCHEMBL10646528 0.73 TBXAS1 (0.38) TBXAS1HMOX2CYP3A4KDM4E
SCHEMBL10730810 0.71 TBXAS1 (0.36) TBXAS1HMOX2CYP3A4KDM4E
SCHEMBL10724660 0.71 MMP2 (0.36) TBXAS1HMOX2CYP3A4SMN1; SMN2MEN1
SCHEMBL10724974 0.69 TBXAS1 (0.34) TBXAS1HMOX2CYP3A4SMN1; SMN2MEN1
SCHEMBL8828166 0.68 CYP3A4 (0.36) TBXAS1CYP3A4SMN1; SMN2MEN1KMT2A

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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