SCHEMBL12818419

SCHEMBL12818419

Cn1ccc2cc(S(=O)(=O)N3CC[S+]([O-])c4ccc(-c5ccc(C#N)cc5)cc43)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.40
▸ PKM P14618 1/20 0.39
▸ PKLR P30613 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ LGMN Q99538 1/20 0.36
▸ THRB P10828 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ BRD1 O95696 3/20 0.35
▸ BRPF1 P55201 3/20 0.35
▸ BRPF3 Q9ULD4 3/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ BRD9 Q9H8M2 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SCN7A Q01118 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ DRD3 P35462 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
SCHEMBL12818669 0.86 PKM (0.37) HTR6PKMPKLRKDM2BLGMN
SCHEMBL12818649 0.84 CYP11B1 (0.43) HTR6PKMKDM2BCYP11B1CYP11B2
SCHEMBL12818592 0.81 HTR6 (0.40) HTR6PKMPKLRKDM2BCYP11B1
SCHEMBL1817915 0.80 CCR6 (0.45) PKMPKLRCYP11B1CYP11B2
SCHEMBL12817663 0.80 CYP11B1 (0.35) HTR6CYP11B1CYP11B2BRD1BRPF1
SCHEMBL12818627 0.80 HTR6 (0.41) HTR6PKMPKLRKDM2BCYP11B1
SCHEMBL12818290 0.79 CYP11B1 (0.47) HTR6KDM2BCYP11B1CYP11B2DRD2
SCHEMBL12818556 0.79 CYP11B1 (0.47) HTR6KDM2BCYP11B1CYP11B2DRD2
SCHEMBL12818624 0.79 HTR6 (0.41) HTR6PKMPKLRKDM2BCYP11B1
SCHEMBL12817726 0.79 HSPD1 (0.38) PKMPKLRKDM2BCYP11B1CYP11B2

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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