SCHEMBL14977115

SCHEMBL14977115

CN(C)CCSc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.55
PKM P14618 1/20 0.51
PKLR P30613 1/20 0.51
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL14976775 0.88 HTR6 (0.53) HTR6PKMSMN1; SMN2LMNAKMT2A
SCHEMBL14976040 0.85 HDAC3 (0.47) HTR6PKMSMN1; SMN2LMNAKMT2A
SCHEMBL14976807 0.84 CA12 (0.49) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL14976472 0.84 CACNA1B (0.43) HTR6SMN1; SMN2HTTGAA
SCHEMBL14977421 0.81 HSD17B2 (0.52) HTR6PKMKMT2AMAPTGAA
SCHEMBL14976733 0.80 HTR7 (0.47) HTR6KMT2AALDH1A1
SCHEMBL16863962 0.73 KMT2A (0.68) PKMPKLRATMSMN1; SMN2LMNA
SCHEMBL3153253 0.71 HTR6 (1.00) HTR6PKMPKLRATMSMN1; SMN2
SCHEMBL3152299 0.71 HTR6 (1.00) HTR6PKMPKLRATM
SCHEMBL9942088 0.71 ATM (0.72) PKMPKLRATMSMN1; SMN2LMNA

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-2013076590-A1 BENZOTHIAZINE COMPOUNDS AS H3 RECEPTOR LIGANDS OXYGEN HEALTHCARE RESEARCH PVT. LTD (IN) 2013-05-30 WO disclosed
WO-2013076590-A1 BENZOTHIAZINE COMPOUNDS AS H3 RECEPTOR LIGANDS OXYGEN HEALTHCARE RESEARCH PVT. LTD (IN) 2013-05-30 WO disclosed