SCHEMBL29654261

SCHEMBL29654261

Nc1nc(-c2nc(-c3cccc4ccccc34)cs2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.53
HSD17B10 Q99714 2/20 0.53
RAB9A P51151 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
NPC1 O15118 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
AR P10275 1/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL713110 0.92 HSD17B10 (0.61) MPLHSD17B10RAB9AALDH1A1MEN1
Bromide SCHEMBL8357463 0.90 HSD17B10 (0.59) MPLHSD17B10RAB9AALDH1A1MEN1
SCHEMBL29654229 0.83 CYP19A1 (0.63) MPLHSD17B10RAB9AALDH1A1MEN1
SCHEMBL29654188 0.81 MPL (0.43) MPLHSD17B10RAB9AALDH1A1MEN1
SCHEMBL29654224 0.79 MPL (0.84) MPLHSD17B10RAB9AALDH1A1MEN1
SCHEMBL5254898 0.79 KMT2A (0.54) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL9830320 0.78 HTR2C (0.45) MPLHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL23212840 0.78 RAB9A (0.62) HSD17B10RAB9AALDH1A1MEN1KMT2A
SCHEMBL12592171 0.78 MPL (0.56) MPLHSD17B10RAB9AALDH1A1MEN1
SCHEMBL11454418 0.77 KMT2A (0.59) HSD17B10RAB9AALDH1A1MEN1KMT2A

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
CN-114249702-A N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof 沈阳药科大学 2022-03-29 CN disclosed