SCHEMBL1818453

SCHEMBL1818453

Cc1ccc(S(=O)(=O)N2CCOc3ccc(-c4ccc(C#N)[nH]4)cc32)o1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.39
▸ PDE3A Q14432 3/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ PGR P06401 5/20 0.38
▸ MAPT P10636 3/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HTR6 P50406 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL1819207 0.81 PDE3B (0.39) PDE3BPDE3AMEN1KMT2APGR
SCHEMBL1819765 0.80 MEN1 (0.43) PDE3BPDE3AMEN1KMT2APGR
SCHEMBL12818994 0.80 PGR (0.39) PDE3BPDE3AMEN1KMT2APGR
SCHEMBL1819521 0.79 MEN1 (0.40) PDE3BPDE3AMEN1KMT2AMAPT
SCHEMBL1820079 0.79 MEN1 (0.40) PDE3BPDE3AMEN1KMT2APGR
SCHEMBL12818203 0.79 PDE3B (0.37) PDE3BPDE3AMEN1KMT2APGR
SCHEMBL12818499 0.79 PKM (0.42) PDE3BPDE3AMEN1KMT2APGR
SCHEMBL12818998 0.78 PKM (0.39) PDE3BPDE3AMEN1KMT2APGR
SCHEMBL12818498 0.78 PKM (0.41) PDE3BPDE3AMEN1KMT2AMAPT
SCHEMBL1818424 0.77 MEN1 (0.41) PDE3BPDE3AMEN1KMT2AMAPT

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
WO-2011057892-A1 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELARA PHARMACEUTICALS GMBH (DE) 2011-05-19 — — WO disclosed
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