SCHEMBL4222612

SCHEMBL4222612

O=S(=O)(c1cc[c]cc1)C1CCNCC1.[c]1ccc(OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
MAOA P21397 2/20 0.43
KDM1A O60341 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
HTR1A P08908 3/20 0.42
HTR2A P28223 2/20 0.40
CACNA1B Q00975 1/20 0.40
AR P10275 2/20 0.40
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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 0.89 CA12 (0.55) MAOBMAOAKDM1ACA12CA1
SCHEMBL4222616 0.82 F10 (0.42) MAOBMAOAKDM1ACA12CA1
SCHEMBL3075967 0.80 LMNA (0.41) HTR2AHTR2CKCNH2GBA1
SCHEMBL12735865 0.77 HTR6 (0.52) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL12735859 0.75 MAOB (0.50) MAOBMAOAKCNH2
SCHEMBL12807946 0.75 ACHE (0.42) MAOBMAOAKDM1ACA12CA1
SCHEMBL12735867 0.75 MMP1 (0.54) MAOBMAOASLC6A4HTR2C
Hydrochloric Acid SCHEMBL1532794 0.74 MAOB (0.51) MAOBMAOAKCNH2
SCHEMBL17803 0.74 HTR2A (0.51) HTR2AHTR2CKCNH2GBA1
SCHEMBL76993 0.74 LMNA (0.61) MAOBMAOACA12CA1CA2

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