SCHEMBL5332522

SCHEMBL5332522

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.42
KMT2A Q03164 2/20 0.42
DDR1 Q08345 5/20 0.42
HTR6 P50406 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRNP P04156 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL5333018 0.94 DDR1 (0.43) HSD17B10KMT2ADDR1HTR6ALDH1A1
SCHEMBL5335199 0.92 HTR6 (0.46) HSD17B10KMT2ADDR1HTR6ALDH1A1
SCHEMBL5331060 0.92 ALDH1A1 (0.46) HSD17B10KMT2ADDR1HTR6ALDH1A1
SCHEMBL5334580 0.90 ALDH1A1 (0.44) HSD17B10KMT2AHTR6ALDH1A1POLB
SCHEMBL5330544 0.86 HTR6 (0.43) HSD17B10KMT2ADDR1HTR6ALDH1A1
SCHEMBL5332975 0.86 HTR6 (0.50) KMT2ADDR1HTR6ALDH1A1MEN1
SCHEMBL5335240 0.86 ALDH1A1 (0.44) HSD17B10KMT2ADDR1HTR6ALDH1A1
SCHEMBL5333822 0.86 MAPT (0.45) KMT2ADDR1HTR6MEN1MAPT
SCHEMBL5337329 0.84 DRD2 (0.44) HSD17B10KMT2AHTR6ALDH1A1MEN1
SCHEMBL5328593 0.84 ALDH1A1 (0.46) KMT2ADDR1HTR6ALDH1A1MEN1

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