SCHEMBL30765134

SCHEMBL30765134

NC(=O)c1ccc(NCc2ccccc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
RAB9A P51151 2/20 0.62
GFER P55789 1/20 0.62
FFAR1 O14842 1/20 0.59
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
CA1 P00915 1/20 0.48
ACHE P22303 1/20 0.48
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HIF1A Q16665 2/20 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
SCHEMBL11245297 0.86 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AGFERFFAR1NPC1
SCHEMBL18669064 0.84 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AGFERPOLBHDAC3
SCHEMBL6690806 0.83 RAB9A (0.67) SMN1; SMN2RAB9AGFERFFAR1NPC1
SCHEMBL6777623 0.83 CA12 (0.63) RAB9AGAAMAPTCA1HIF1A
SCHEMBL7662583 0.80 ALDH1A1 (0.67) SMN1; SMN2RAB9ANPC1HDAC1GAA
SCHEMBL11244675 0.79 MAPT (0.58) SMN1; SMN2RAB9AGFERFFAR1NPC1
SCHEMBL11511314 0.78 MEN1 (0.68) SMN1; SMN2RAB9AGFERFFAR1POLB
SCHEMBL7988500 0.77 RAB9A (0.65) SMN1; SMN2RAB9AGFERFFAR1NPC1
SCHEMBL27549523 0.77 PARP10 (0.52) SMN1; SMN2RAB9AGFERFFAR1MAPT
SCHEMBL14018652 0.77 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AGFERFFAR1NPC1

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-112424181-B Substituted condensed thiophenes as STING modulators 希泰克斯特私人有限公司 2024-02-27 CN disclosed