SCHEMBL5333018

SCHEMBL5333018

CCN1CCN(Cc2c(CS(=O)(=O)c3ccc(Br)cc3)[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTR6 P50406 6/20 0.41
SIRT1 Q96EB6 2/20 0.39
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5332522 0.94 HSD17B10 (0.42) DDR1ALDH1A1POLBKMT2AMEN1
SCHEMBL5331060 0.94 ALDH1A1 (0.46) DDR1ALDH1A1POLBKMT2AMEN1
SCHEMBL5332975 0.92 HTR6 (0.50) DDR1ALDH1A1POLBKMT2AMEN1
SCHEMBL5335240 0.90 ALDH1A1 (0.44) DDR1ALDH1A1POLBKMT2AMEN1
SCHEMBL5330544 0.88 HTR6 (0.43) DDR1ALDH1A1KMT2AHTR6HSD17B10
SCHEMBL5335199 0.86 HTR6 (0.46) DDR1ALDH1A1POLBKMT2AMEN1
SCHEMBL5334580 0.86 ALDH1A1 (0.44) ALDH1A1POLBKMT2AHTR6HSD17B10
SCHEMBL5337329 0.86 DRD2 (0.44) ALDH1A1POLBKMT2AMEN1HTR6
SCHEMBL5328593 0.86 ALDH1A1 (0.46) DDR1ALDH1A1POLBKMT2AMEN1
SCHEMBL5333822 0.84 MAPT (0.45) DDR1KMT2AMEN1HTR6

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-2007046112-A1 ARYLTHIOETHER TRYPTAMINE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES INC. (IN) 2007-04-26 WO claimed
WO-2007046112-A1 ARYLTHIOETHER TRYPTAMINE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES INC. (IN) 2007-04-26 WO disclosed