SCHEMBL28845875

SCHEMBL28845875

Cc1cc(-c2csc(Nc3cnccn3)n2)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.52
RAB9A P51151 14/20 0.52
MEN1 O00255 13/20 0.52
KMT2A Q03164 13/20 0.52
POLB P06746 5/20 0.50
GAA P10253 4/20 0.50
CASP3 P42574 4/20 0.49
SENP8 Q96LD8 4/20 0.49
SENP7 Q9BQF6 4/20 0.49
SENP6 Q9GZR1 4/20 0.49
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
MPI P34949 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
SCHEMBL28154610 0.88 NPC1 (0.49) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL16217116 0.85 MEN1 (0.58) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28154695 0.82 RAB9A (0.46) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL24617416 0.81 HPGDS (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL29674695 0.81 HPGDS (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28155545 0.81 NPC1 (0.70) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL28154660 0.81 NPC1 (0.70) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28845873 0.80 RAB9A (0.44) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28091731 0.80 RAB9A (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL28154584 0.80 MEN1 (0.55) NPC1RAB9AMEN1KMT2ACASP3

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