SCHEMBL8102005

SCHEMBL8102005

O=C(O)c1ccc(SCCO)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.55
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
APEX1 P27695 2/20 0.40
RARB P10826 1/20 0.39
GRK6 P43250 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
PTGS2 P35354 1/20 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
SCHEMBL8116316 0.79 HTT (0.44) CA2LMNAMAPK1HTTRAB9A
SCHEMBL3126876 0.78 MRGPRX4 (0.51) LMNAMAPK1HTTRAB9APOLB
SCHEMBL31401479 0.77 TSHR (0.42) APEX1RARBNR1H4KDM4EHSD17B10
SCHEMBL11770021 0.76 RAB9A (0.56) HTTRAB9AAPEX1KDM4EHSD17B10
SCHEMBL11828338 0.76 ALDH1A1 (0.52) LMNAMAPK1HTTRAB9AKDM4E
SCHEMBL8402587 0.75 LMNA (0.53) CA2LMNAMAPK1HTTRAB9A
SCHEMBL2001981 0.75 APEX1 (0.72) CA2LMNAAPEX1MAPTTSHR
SCHEMBL25465991 0.71 ALDH1A1 (0.47) LMNAMAPK1HTTRAB9AKDM4E
SCHEMBL14516636 0.71 KCNQ3 (0.52) CA2LMNAMAPK1HTTRAB9A
SCHEMBL1018288 0.71 CA2 (0.52) CA2HTTRAB9AKDM4ECA12

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-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed