SCHEMBL25001209

SCHEMBL25001209

COc1ccc2nc(NC(=O)Nc3ccccc3OC)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
NPC1 O15118 9/20 1.00
KMT2A Q03164 8/20 1.00
MEN1 O00255 7/20 1.00
SMN1; SMN2 Q16637 4/20 0.77
MAPT P10636 3/20 0.77
HTT P42858 2/20 0.77
KDM4E B2RXH2 1/20 0.77
ALDH1A1 P00352 1/20 0.77
MCL1 Q07820 1/20 0.77
NFKB1 P19838 2/20 0.73
NFKB2 Q00653 2/20 0.73
RELA Q04206 2/20 0.73
LMNA P02545 1/20 0.73
POLB P06746 1/20 0.73
HDAC6 Q9UBN7 1/20 0.73
GFER P55789 1/20 0.71
CSNK1D P48730 1/20 0.67
SCD O00767 4/20 0.65
CYP1A2 P05177 1/20 0.65

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
SCHEMBL4918093 0.91 RAB9A (0.83) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL25001241 0.91 RAB9A (0.82) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11421036 0.88 RAB9A (0.78) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL25002181 0.87 RAB9A (0.77) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4920242 0.85 RAB9A (0.79) RAB9ANPC1KMT2AMEN1SMN1; SMN2
Frentizole SCHEMBL599582 0.85 RAB9A (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
Frentizole SCHEMBL11433152 0.84 RAB9A (0.98) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL23357 0.84 RAB9A (0.84) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4923608 0.84 RAB9A (0.72) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3154555 0.81 RAB9A (0.67) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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
WO-2023014296-A2 MOLECULAR GLUE AND SALL4 DEGRADER NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-02-09 WO disclosed