SCHEMBL1777009

SCHEMBL1777009

COc1cc(NS(=O)(=O)c2cc3c(N4CCN(C)CC4)nccc3s2)c(OC)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.48
HTR6 P50406 5/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
BRD4 O60885 2/20 0.41
HTR2A P28223 3/20 0.41
HTR1A P08908 3/20 0.41
HTR1D P28221 3/20 0.41
HTR1B P28222 3/20 0.41
DRD2 P14416 2/20 0.41
HTR2C P28335 2/20 0.41
DRD3 P35462 2/20 0.41
HTR7 P34969 2/20 0.41

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
Hydrochloric Acid SCHEMBL1775834 0.99 MALT1 (0.47) MALT1HTR6ALDH1A1NPSR1TSHR
SCHEMBL1775048 0.90 HTR6 (0.49) MALT1HTR6ALDH1A1NPSR1TSHR
Hydrochloric Acid SCHEMBL1773877 0.90 HTR6 (0.48) MALT1HTR6ALDH1A1NPSR1TSHR
SCHEMBL1775413 0.86 MALT1 (0.48) MALT1BRD4
SCHEMBL1775401 0.78 HRH4 (0.45) HTR6ALDH1A1LMNAMAPK1HTR2A
SCHEMBL1774608 0.78 HTR6 (0.51) HTR6ALDH1A1TP53LMNAMAPK1
SCHEMBL1775441 0.77 HTR6 (0.45) MALT1HTR6NPSR1HTTHTR2A
Hydrochloric Acid SCHEMBL1774702 0.77 HRH4 (0.44) HTR6ALDH1A1LMNAMAPK1HTR2A
Hydrochloric Acid SCHEMBL1775137 0.77 HTR6 (0.50) HTR6ALDH1A1TP53LMNAMAPK1
Hydrochloric Acid SCHEMBL1775491 0.76 HTR6 (0.45) HTR6NPSR1HTTHTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US claimed