SCHEMBL28845877

SCHEMBL28845877

COc1cc(-c2csc(Nc3cnccn3)n2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.56
MEN1 O00255 11/20 0.56
KMT2A Q03164 11/20 0.56
NPC1 O15118 11/20 0.56
MAPT P10636 6/20 0.53
GAA P10253 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
NFKB1 P19838 2/20 0.47
MAPK1 P28482 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 3/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 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
SCHEMBL14758376 0.87 MEN1 (0.73) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL18029517 0.83 RAB9A (0.79) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL28154591 0.81 RAB9A (0.53) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL28155536 0.81 RAB9A (0.72) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL28002973 0.79 RAB9A (0.54) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL28155597 0.79 CSNK2A1 (0.58) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL28154695 0.78 RAB9A (0.46) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL28845875 0.78 NPC1 (0.52) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL28154610 0.78 NPC1 (0.49) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL28155498 0.76 MEN1 (0.52) RAB9AMEN1KMT2ANPC1MAPT

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-104254534-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2017-07-14 CN disclosed