SCHEMBL11267164

SCHEMBL11267164

[O-][S+]1CCCNc2ccc(F)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HTR5A P47898 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AHR P35869 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL11269163 0.81 MAPT (0.35) CA12CA1CA2CA9KDM4E
SCHEMBL11280879 0.81 AHR (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL11262166 0.81 GAA (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL11260147 0.79 PNMT (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL11274713 0.78 PDE3B (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL11266164 0.77 ALOX15 (0.36) CA12CA1CA2CA9MAPT
SCHEMBL11269742 0.77 PNMT (0.41) CA12CA1CA2CA9MAPT
SCHEMBL2216455 0.74 MAPT (0.54) CA12CA1CA2CA9KDM4E
SCHEMBL17927787 0.73 MAPT (0.49) CA12CA1CA2CA9KDM4E
Hydrochloric Acid SCHEMBL19926551 0.73 MAPT (0.57) CA12CA1CA2CA9KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US claimed
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US disclosed