SCHEMBL4729065

SCHEMBL4729065

Fc1ccc2scc(N3CCNCC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
TP53 P04637 5/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.53
KDR P35968 1/20 0.51
HTR1A P08908 5/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR7 P34969 1/20 0.43
HTR3A P46098 3/20 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
Hydrochloric Acid SCHEMBL4727330 0.98 MAPT (0.57) MAPTTP53LMNATHRBKDR
SCHEMBL2966951 0.88 MAPT (0.48) MAPTTP53LMNATHRBKDR
Hydrochloric Acid SCHEMBL6220144 0.87 MAPT (0.47) MAPTTP53LMNATHRBKDR
SCHEMBL2968890 0.83 MAPT (0.50) MAPTTP53LMNATHRBKDR
SCHEMBL23010594 0.82 MAPT (0.58) MAPTTP53LMNATHRBHTR1A
SCHEMBL8915792 0.82 MAPT (0.58) MAPTTP53LMNATHRBHTR1A
Maleic Acid SCHEMBL3901903 0.78 TP53 (0.43) MAPTTP53LMNATHRBKDR
Fumaric Acid SCHEMBL3901905 0.78 TP53 (0.43) MAPTTP53LMNATHRBKDR
SCHEMBL7815883 0.78 HTR6 (0.53) MAPTTP53LMNAHTR1AHTR7
Hydrochloric Acid SCHEMBL6220118 0.76 KDM4E (0.54) MAPTTP53LMNAHTR1AHTR7

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-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed