SCHEMBL2562512

SCHEMBL2562512

O=C1Nc2ccc(-c3cccs3)cc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A11 P48066 1/20 1.00
▸ MAOA P21397 6/20 0.59
▸ MAOB P27338 6/20 0.59
▸ PDE3B Q13370 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ PGR P06401 1/20 0.51
▸ TGM2 P21980 5/20 0.47
▸ CES1 P23141 4/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ CAPN9 O14815 1/20 0.43
▸ CASP3 P42574 1/20 0.43

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
SCHEMBL19216492 0.88 SLC6A11 (0.78) SLC6A11MAOAMAOBPDE3BPDE3A
SCHEMBL21580251 0.76 SLC6A11 (0.61) SLC6A11PGRKCNH2
SCHEMBL30512416 0.76 SLC6A11 (0.61) SLC6A11PGRKCNH2
SCHEMBL2789935 0.75 MAOA (1.00) SLC6A11MAOAMAOBPDE3BPDE3A
SCHEMBL27554974 0.73 SLC6A11 (0.58) SLC6A11PGRALDH1A1KCNH2CASP3
SCHEMBL11213472 0.72 PDE3B (1.00) SLC6A11MAOAMAOBPDE3BPDE3A
SCHEMBL29956338 0.72 PGR (0.56) SLC6A11MAOAMAOBPDE3BPDE3A
SCHEMBL25367285 0.71 MAOA (0.74) SLC6A11MAOAMAOBPDE3BPDE3A
SCHEMBL30588923 0.71 MAOA (0.74) SLC6A11MAOAMAOBPDE3BPDE3A
SCHEMBL2787830 0.71 MAOA (0.73) SLC6A11MAOAMAOBPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
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