SCHEMBL4784982

SCHEMBL4784982

CCCCC1CCCCN1C(N)=S

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 2/20 0.40
CYP1A2 P05177 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
GRM5 P41594 1/20 0.35
DPP4 P27487 1/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8602693 0.83 S1PR1 (0.43) KMT2AS1PR1S1PR3S1PR5CYP1A2
SCHEMBL4780628 0.83 S1PR1 (0.43) KMT2AS1PR1S1PR3S1PR5CYP1A2
SCHEMBL7501298 0.78 S1PR1 (0.43) KMT2AS1PR1S1PR3S1PR5CYP1A2
SCHEMBL4732559 0.78 POLB (0.42) KMT2AS1PR1S1PR3S1PR5MAPT
SCHEMBL7692006 0.78 S1PR1 (0.50) KMT2AS1PR1S1PR3S1PR5CYP1A2
SCHEMBL13163105 0.75 L3MBTL1 (0.50) KMT2AHTTDPP4ALDH1A1SMN1; SMN2
SCHEMBL28131709 0.73 S1PR1 (0.49) KMT2AS1PR1S1PR3S1PR5CYP1A2
SCHEMBL3425018 0.73 S1PR1 (0.44) KMT2AS1PR1S1PR3S1PR5CYP1A2
SCHEMBL8555789 0.73 CHRNB2 (0.45) S1PR1S1PR3S1PR5CYP1A2CHRNB2
SCHEMBL7733041 0.72 L3MBTL1 (0.43) KMT2AS1PR1S1PR3S1PR5MAPT

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-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO claimed