SCHEMBL4222616

SCHEMBL4222616

O=S(=O)(c1ccc(-c2[c]ccc(OCc3ccccc3)c2)cc1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.42
KDM1A O60341 2/20 0.38
PLAT P00750 1/20 0.38
PRMT5 O14744 5/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SRC P12931 2/20 0.37
HCK P08631 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL12735861 0.82 CA12 (0.55) KDM1ACA12CA1CA2CA4
SCHEMBL4222612 0.82 MAOB (0.43) KDM1APRMT5CA12CA1CA2
SCHEMBL8461967 0.76 GSTP1 (0.54) SLC6A2SLC6A3MAOAMAOB
SCHEMBL15474587 0.76 ALOX5 (0.50) SLC6A2SLC6A3MAOAMAOB
SCHEMBL12735859 0.74 MAOB (0.50) MAOAMAOB
SCHEMBL11013737 0.73 CYP1A2 (0.56) SLC6A2SLC6A3MAOB
Hydrochloric Acid SCHEMBL1532794 0.73 MAOB (0.51) MAOAMAOB
SCHEMBL12807946 0.72 ACHE (0.42) KDM1ACA12CA1CA2CA4
SCHEMBL12735867 0.72 MMP1 (0.54) SLC6A4MAOAMAOB
SCHEMBL12735865 0.71 HTR6 (0.52) SLC6A2SLC6A4SLC6A3MAOAMAOB

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
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed