SCHEMBL1816305

SCHEMBL1816305

CN(C)c1ccc(S(=O)(=O)N2CCOc3ccc(-c4csc(C#N)c4)cc32)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CPT1A P50416 3/20 0.36
▸ CPT1B Q92523 3/20 0.36
▸ PDE3B Q13370 4/20 0.35
▸ PDE3A Q14432 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ AR P10275 1/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL1820266 0.88 MEN1 (0.39) CYP2C9MEN1KMT2ACPT1ACPT1B
SCHEMBL1817249 0.87 PDE3B (0.41) CYP2C9MEN1KMT2APDE3BPDE3A
SCHEMBL1818362 0.87 PIK3CA (0.40) CYP2C9MEN1KMT2ACPT1ACPT1B
SCHEMBL1817603 0.87 CYP2C9 (0.42) CYP2C9MEN1KMT2ACPT1ACPT1B
SCHEMBL1815092 0.86 MEN1 (0.38) CYP2C9MEN1KMT2ACPT1ACPT1B
SCHEMBL1817305 0.86 CYP2C9 (0.37) CYP2C9MEN1KMT2ACPT1ACPT1B
SCHEMBL1814874 0.86 CYP2C9 (0.38) CYP2C9MEN1KMT2APDE3BPDE3A
SCHEMBL1816941 0.84 CYP2C9 (0.53) CYP2C9MEN1KMT2ACPT1ACPT1B
SCHEMBL1819876 0.83 CCNA2 (0.42) CYP2C9MEN1KMT2APDE3BPDE3A
SCHEMBL1821637 0.82 PKM (0.48) CYP2C9MEN1KMT2ANPC1ALDH1A1

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 2 patents. 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 claimed
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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