SCHEMBL6863955

SCHEMBL6863955

Oc1c(Cl)ccc2c1N(CCCI)c1ccccc1S2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.44
CYP2C19 P33261 6/20 0.44
PIM1 P11309 1/20 0.43
LMNA P02545 6/20 0.43
CYP1A2 P05177 5/20 0.43
HTR1A P08908 5/20 0.43
DRD2 P14416 5/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 4/20 0.43
ADRA2A P08913 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRA2C P18825 4/20 0.43
SLC6A2 P23975 4/20 0.43
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
SLC6A4 P31645 4/20 0.43
ADRA1A P35348 4/20 0.43
HRH1 P35367 4/20 0.43
DRD3 P35462 4/20 0.43

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
SCHEMBL21436165 0.96 PIM1 (0.46) CYP2D6CYP2C19PIM1LMNACYP1A2
SCHEMBL4780685 0.87 KDM1A (0.50) CYP2D6CYP2C19PIM1LMNACYP1A2
SCHEMBL4778428 0.86 PDF (0.47) CYP2D6CYP2C19PIM1LMNACYP1A2
SCHEMBL4780730 0.84 CYP2D6 (0.45) CYP2D6CYP2C19LMNACYP1A2HTR1A
SCHEMBL21436166 0.84 CYP2D6 (0.44) CYP2D6CYP2C19PIM1LMNACYP1A2
SCHEMBL7585294 0.84 CYP2D6 (0.65) CYP2D6CYP2C19LMNACYP1A2HTR1A
SCHEMBL4238190 0.81 KDM1A (0.67) CYP2D6CYP2C19LMNACYP1A2HTR1A
SCHEMBL18104088 0.79 PIM1 (0.66) CYP2D6CYP2C19PIM1LMNACYP1A2
SCHEMBL21436177 0.78 MEN1 (0.50) CYP2D6CYP2C19LMNACYP1A2HTR1A
SCHEMBL4783514 0.78 KDM1A (0.45) CYP2D6CYP2C19LMNACYP1A2HTR1A

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-2003062388-A9 INHIBITION OF RNA FUNCTION UNIV CALIFORNIA (US) 2004-05-27 WO disclosed