SCHEMBL21301005

SCHEMBL21301005

Nc1nc(-c2ccc(P)c(C(F)(F)F)c2)cs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 4/20 0.71
LTA4H P09960 4/20 0.51
RAB9A P51151 9/20 0.50
ALDH1A1 P00352 9/20 0.50
MAPT P10636 8/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
KDM4E B2RXH2 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
AR P10275 1/20 0.50
GFER P55789 1/20 0.50
ALOX5 P09917 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 2/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL128039 0.83 MPL (1.00) MPLLTA4HRAB9AALDH1A1MAPT
SCHEMBL18724008 0.82 MPL (0.71) MPLLTA4HRAB9AALDH1A1MAPT
SCHEMBL17400589 0.82 MPL (0.71) MPLLTA4HRAB9AALDH1A1MAPT
SCHEMBL474200 0.82 MPL (0.71) MPLLTA4HRAB9AALDH1A1MAPT
SCHEMBL21007205 0.80 AR (0.55) MPLRAB9AALDH1A1MAPTNPC1
SCHEMBL474197 0.80 MPL (0.78) MPLLTA4HRAB9AALDH1A1MAPT
SCHEMBL474206 0.79 MPL (0.67) MPLLTA4HRAB9AALDH1A1MAPT
SCHEMBL17412697 0.78 MPL (0.66) MPLLTA4HRAB9AALDH1A1MAPT
SCHEMBL17386626 0.78 ALDH1A1 (0.68) MPLLTA4HRAB9AALDH1A1MAPT
SCHEMBL17386769 0.76 MPL (0.63) MPLLTA4HRAB9AALDH1A1MAPT

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-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed