SCHEMBL28298682

SCHEMBL28298682

Cc1csc(NC(=O)NC2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
GFER P55789 2/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
RAB9A P51151 8/20 0.54
NPC1 O15118 5/20 0.54
EPHX1 P07099 3/20 0.54
SMN1; SMN2 Q16637 5/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.49
TSHR P16473 3/20 0.47
EPHX2 P34913 2/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL28873510 0.94 RAB9A (0.55) ALDH1A1HPGDGFERMAPTALOX15
SCHEMBL28300152 0.82 RAB9A (0.41) ALDH1A1HPGDGFERMAPTALOX15
SCHEMBL28563606 0.82 RAB9A (0.44) ALDH1A1HPGDGFERMAPTALOX15
SCHEMBL28300136 0.81 RAB9A (0.40) ALDH1A1HPGDGFERMAPTALOX15
SCHEMBL28571204 0.79 ALDH1A1 (0.42) ALDH1A1HPGDGFERMAPTALOX15
SCHEMBL28571203 0.79 ALDH1A1 (0.42) ALDH1A1HPGDGFERMAPTALOX15
SCHEMBL28298714 0.78 RAF1 (0.41) ALDH1A1HPGDGFERMAPTALOX15
SCHEMBL28300209 0.75 RAF1 (0.45) ALDH1A1HPGDGFERMAPTALOX15
SCHEMBL28300137 0.74 RAF1 (0.39) ALDH1A1HPGDGFERMAPTALOX15
SCHEMBL28300148 0.74 RAF1 (0.42) ALDH1A1HPGDGFERMAPTALOX15

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-109963858-A N3The thieno uracil and application thereof that ring-type replaces 拜耳股份公司 2019-07-02 CN disclosed