SCHEMBL24124682

SCHEMBL24124682

CC(C)C1Sc2ccc(C(=O)Nc3ccc(SNc4ccccc4)cc3)cc2NC1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 5/20 0.44
TP53 P04637 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
POLB P06746 4/20 0.41
GAA P10253 1/20 0.39
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL24124283 0.89 RAB9A (0.63) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL24124808 0.86 RAB9A (0.42) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL24124315 0.82 GPR27 (0.53) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL24125091 0.81 RAB9A (0.47) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL24125038 0.81 RAB9A (0.60) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL24124711 0.80 HDAC1 (0.57) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL24124230 0.80 HDAC1 (0.57) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL24125168 0.80 RAB9A (0.62) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL24125063 0.80 HDAC1 (0.57) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL24125188 0.80 HDAC1 (0.54) RAB9ANPC1MAPTTP53SMN1; 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-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 WO disclosed