SCHEMBL2550314

SCHEMBL2550314

O=Cc1ccsc1C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL14862769 0.98 CYP2A6 (0.35) CYP2A6MEN1LMNATHRBBLM
SCHEMBL2555589 0.94 CYP2A6 (0.37) CYP2A6MEN1LMNATHRBBLM
SCHEMBL2550311 0.71 ABCC1 (0.38) MEN1LMNAKMT2ATDP1
SCHEMBL1474805 0.67
SCHEMBL4458509 0.67 CEL (0.35) LMNA
SCHEMBL8167373 0.67 LMNA (0.36) LMNA
SCHEMBL14862766 0.67 MAPK10 (0.40) MEN1LMNAKMT2ATDP1
SCHEMBL1419542 0.66 CYP2A6 (0.45) CYP2A6MEN1LMNATHRBBLM
SCHEMBL21774340 0.66 PTGS1 (0.50) CYP2A6
SCHEMBL18825990 0.65 CEL (0.35) LMNATDP1

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-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed