SCHEMBL2170956

SCHEMBL2170956

CN(c1cc(NS(=O)(=O)c2ccccc2Br)ccc1Cl)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
HTR6 P50406 4/20 0.40
SLC22A12 Q96S37 9/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1F P30939 1/20 0.38
POLB P06746 1/20 0.38
NR1I2 O75469 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN5 P54829 1/20 0.37
MAPT P10636 1/20 0.37
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL2170559 0.91 SLC22A12 (0.47) BRD4HTR6SLC22A12HTR1AHTR1B
SCHEMBL2171141 0.86 HTR6 (0.49) BRD4BRD2HTR6UTS2R
SCHEMBL2170067 0.85 CCNT1 (0.50) HTR6HTR2CCCNT1CDK9MAPT
Hydrochloric Acid SCHEMBL2169494 0.84 CCNT1 (0.49) HTR6HTR2CCCNT1CDK9MAPT
SCHEMBL2170359 0.83 MAPT (0.48) HTR6POLBCCNT1CDK9MAPT
SCHEMBL2169880 0.82 HTR6 (0.41) BRD4BRD2HTR6POLBPTPN2
SCHEMBL2170768 0.80 ESR1 (0.45) HTR6POLBCCNT1CDK9MAPT
SCHEMBL2170564 0.79 HSD17B3 (0.48) BRD4HTR6POLBCCNT1CDK9
SCHEMBL2170726 0.79 HTR6 (0.49) BRD4HTR6CCNT1CDK9
SCHEMBL2171609 0.78 HTR6 (0.46) HTR6HTR1AHTR1BHTR2CCCNT1

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
EP-2346847-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2011-07-27 EP claimed
WO-2010032258-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 WO claimed