SCHEMBL28845873

SCHEMBL28845873

Cc1cc(-c2csc(Nc3cnccn3)n2)cc(C)c1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.44
MEN1 O00255 10/20 0.44
KMT2A Q03164 10/20 0.44
NPC1 O15118 14/20 0.43
CASP3 P42574 4/20 0.43
SENP8 Q96LD8 4/20 0.43
SENP7 Q9BQF6 4/20 0.43
SENP6 Q9GZR1 4/20 0.43
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CDK4 P11802 2/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39

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
SCHEMBL28155503 0.84 RAB9A (0.43) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL28154695 0.82 RAB9A (0.46) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL28154610 0.80 NPC1 (0.49) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL28845875 0.80 NPC1 (0.52) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL28002973 0.78 RAB9A (0.54) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL16217116 0.78 MEN1 (0.58) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL28845877 0.76 RAB9A (0.56) RAB9AMEN1KMT2ANPC1TP53
SCHEMBL28154660 0.74 NPC1 (0.70) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL27986414 0.73 PARP1 (0.56) MEN1KMT2ASMN1; SMN2TDP1LMNA
SCHEMBL27898729 0.73 ALDH1A1 (0.41) RAB9AMEN1KMT2ANPC1TP53

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