SCHEMBL6017056

SCHEMBL6017056

O=S(=O)(c1cc(Br)c(Cl)s1)N1CN(C2CCNCC2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 10/20 0.36
▸ HTR2B P41595 6/20 0.36
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAD51 Q06609 1/20 0.33
▸ HTR2A P28223 6/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HTR6 P50406 3/20 0.31
▸ DRD3 P35462 1/20 0.31

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
SCHEMBL6017067 0.83 HTR2C (0.33) HTR2CHTR2BHTR2AHTR6DRD3
SCHEMBL4423058 0.74 POLB (0.36) LMNAPOLBMAPTRAD51HTR6
SCHEMBL6017214 0.67 KMT2A (0.56) LMNAPOLBMAPTKDM4EPKM
SCHEMBL6016995 0.67 HTT (0.46) LMNAPOLBMAPTPKM
SCHEMBL4432215 0.62 MAPT (0.41) LMNAPOLBMAPTHTR6DRD3
SCHEMBL4416818 0.62 HTR6 (0.39) HTR2CPOLBMAPTHTR2AHTR6
SCHEMBL11227084 0.59 HTR2C (0.44) HTR2CHTR2BHTR2A
SCHEMBL4420697 0.59 HTR6 (0.32) POLBMAPTHTR6
Hydrochloric Acid SCHEMBL11030525 0.58 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL388122 0.58 FBP1 (0.42) RAD51

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654258-A1 SULFONYLDIHYDRO- BENZIMIDAZOLONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-05-10 — — EP claimed
WO-2005009996-A1 SULFONYLDIHYDRO- BENZIMIDAZOLONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-02-03 — — WO claimed
EP-1654258-A1 SULFONYLDIHYDRO- BENZIMIDAZOLONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-05-10 — — EP disclosed
WO-2005009996-A1 SULFONYLDIHYDRO- BENZIMIDAZOLONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-02-03 — — WO disclosed
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