SCHEMBL5332148

SCHEMBL5332148

Cc1ccc(SCc2[nH]c3ccc(Br)cc3c2CN2CCN(C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
PPARG P37231 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CCR3 P51677 1/20 0.34
HTR1A P08908 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MDH2 P40926 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL5332260 0.91 POLB (0.44) KMT2AHSD17B10POLBALDH1A1MAPT
SCHEMBL5333420 0.88 MPO (0.47) POLBALDH1A1KDM4EPPARGNR2E3
SCHEMBL5333912 0.86 KDM4E (0.48) HSD17B10POLBALDH1A1KDM4EPPARG
SCHEMBL5373851 0.85 HSD17B10 (0.46) KMT2AHSD17B10POLBALDH1A1MAPT
SCHEMBL5360266 0.84 HSD17B10 (0.46) KMT2AHSD17B10POLBALDH1A1MAPT
SCHEMBL5371789 0.84 HSD17B10 (0.46) KMT2AHSD17B10POLBALDH1A1MAPT
SCHEMBL5336272 0.80 HSD17B10 (0.45) KMT2AHSD17B10POLBALDH1A1MAPT
SCHEMBL5331577 0.78 MPO (0.48) POLBALDH1A1KDM4ECCR3GAA
SCHEMBL5334148 0.78 POLB (0.44) KMT2AHSD17B10POLBALDH1A1MAPT
SCHEMBL5329097 0.77 DRD2 (0.52) KMT2APOLBALDH1A1MAPTKDM4E

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 1 patent. 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