SCHEMBL12818485

SCHEMBL12818485

Cc1nc2ccc(S(=O)(=O)N3CCOc4ccc(-c5cnc(C#N)nc5)cc43)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.39
▸ PDE3A Q14432 4/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RIPK2 O43353 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ CPT1A P50416 3/20 0.33
▸ CPT1B Q92523 2/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL12818304 0.89 PKM (0.43) PDE3BPDE3ACYP2C9MEN1KMT2A
SCHEMBL12818912 0.88 PIK3CA (0.42) PDE3BPDE3ACYP2C9MEN1KMT2A
SCHEMBL12818812 0.87 CYP2C9 (0.43) PDE3BPDE3ACYP2C9MEN1KMT2A
SCHEMBL12818721 0.86 CYP2C9 (0.40) PDE3BPDE3ACYP2C9MEN1KMT2A
SCHEMBL1817268 0.85 CYP2C9 (0.53) PDE3BPDE3ACYP2C9MEN1KMT2A
SCHEMBL12818506 0.84 CYP2C9 (0.42) PDE3BPDE3ACYP2C9MEN1KMT2A
SCHEMBL12818373 0.84 SMN1; SMN2 (0.42) PDE3BPDE3ACYP2C9MEN1KMT2A
SCHEMBL12818990 0.84 CYP2C9 (0.38) PDE3BPDE3ACYP2C9MEN1KMT2A
SCHEMBL12818264 0.80 PDE3B (0.39) PDE3BPDE3ACYP2C9MEN1KMT2A
SCHEMBL12818698 0.79 CYP2C9 (0.37) PDE3BPDE3ACYP2C9MEN1KMT2A

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-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO claimed
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO disclosed
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