SCHEMBL12818629

SCHEMBL12818629

Cn1ccc2cc(S(=O)(=O)N3CCOc4ccc(-c5ccncc5)cc43)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ PKM P14618 2/20 0.41
▸ PKLR P30613 2/20 0.41
▸ PDE3B Q13370 4/20 0.41
▸ PDE3A Q14432 4/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL12819074 0.90 CYP2C9 (0.51) KDM2BPKMPKLRPDE3BPDE3A
SCHEMBL12818722 0.90 KDM2B (0.41) KDM2BPKMPKLRPDE3BPDE3A
SCHEMBL12817704 0.86 KDM2B (0.40) KDM2BPKMPKLRPDE3BPDE3A
SCHEMBL12819192 0.85 MEN1 (0.40) KDM2BPKMPKLRPDE3BPDE3A
SCHEMBL12818609 0.84 PKM (0.38) KDM2BPKMPKLRPDE3BPDE3A
SCHEMBL12818264 0.84 PDE3B (0.39) KDM2BPKMPKLRPDE3BPDE3A
SCHEMBL12818110 0.83 MAPT (0.45) HTR6KDM2BPKMPKLRPDE3B
SCHEMBL12818353 0.83 PKM (0.41) KDM2BPKMPKLRPDE3BPDE3A
SCHEMBL12818318 0.81 LMNA (0.42) KDM2BPKMPKLRPDE3BPDE3A
SCHEMBL12818685 0.80 PKM (0.38) KDM2BPKMPKLRPDE3BPDE3A

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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