SCHEMBL30152236

SCHEMBL30152236

Nc1ccc(C2COc3ccccc3C2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.43
ROCK2 O75116 8/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAPK14 Q16539 1/20 0.37
DPP4 P27487 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL24969071 1.00 NISCH (0.43) NISCHROCK2NPC1LMNARAB9A
SCHEMBL30702607 0.82 NISCH (0.49) NISCHROCK2
SCHEMBL30615439 0.75 NISCH (0.46) NISCHROCK2HDAC1HDAC2MAOB
SCHEMBL30152308 0.75 PLAU (0.42) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL24968850 0.75 PLAU (0.42) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL24969521 0.74 MAPT (0.43) NISCHNPC1LMNARAB9ASMN1; SMN2
SCHEMBL24969062 0.73 MAOB (0.44) ROCK2HDAC1HDAC2MAOB
SCHEMBL30152292 0.73 MAOB (0.44) ROCK2HDAC1HDAC2MAOB
SCHEMBL6204486 0.72 CYP19A1 (0.51) NISCHROCK2
SCHEMBL24969069 0.71 CYP3A4 (0.48) NISCHNPC1LMNA

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed