SCHEMBL2170726

SCHEMBL2170726

CN(c1cc(NS(=O)(=O)c2ccccc2)ccc1Br)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.49
LIMK2 P53671 1/20 0.43
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PKM P14618 1/20 0.40
NMT1 P30419 1/20 0.40
BRD4 O60885 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2169824 0.90 ESR1 (0.45) HTR6LMNASMN1; SMN2ALDH1A1NMT1
SCHEMBL2170403 0.88 HTR6 (0.50) HTR6LIMK2CCNT1CDK9LMNA
SCHEMBL2171757 0.87 ESR1 (0.47) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2170067 0.87 CCNT1 (0.50) HTR6LIMK2CCNT1CDK9LMNA
Hydrochloric Acid SCHEMBL2169494 0.86 CCNT1 (0.49) HTR6LIMK2CCNT1CDK9LMNA
SCHEMBL2173430 0.85 HTR6 (0.48) HTR6LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL2171321 0.84 MEN1 (0.46) HTR6LIMK2CCNT1CDK9LMNA
SCHEMBL2169949 0.81 ALDH1A1 (0.58) HTR6LIMK2LMNASMN1; SMN2ALDH1A1
SCHEMBL2170359 0.81 MAPT (0.48) HTR6CCNT1CDK9LMNAMEN1
SCHEMBL2170956 0.79 BRD4 (0.41) HTR6CCNT1CDK9BRD4

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 disclosed
WO-2010032258-A1 ARYL SULFONAMIDE AMINE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 WO disclosed