SCHEMBL24969124

SCHEMBL24969124

Nc1ccc(C2COc3ccccc3N2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MAPK14 Q16539 2/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP19A1 P11511 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL24969126 0.84 KDM1A (0.40) GAALMNAMAPTMEN1KMT2A
SCHEMBL30152247 0.84 KDM1A (0.40) GAALMNAMAPTMEN1KMT2A
SCHEMBL24969059 0.74 EGFR (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL24969521 0.73 MAPT (0.43) GAANPC1LMNAMAPTMEN1
SCHEMBL24969123 0.71 BRD4 (0.42)
SCHEMBL30152236 0.71 NISCH (0.43) MAPK14NPC1LMNARAB9ASMN1; SMN2
SCHEMBL24969071 0.71 NISCH (0.43) MAPK14NPC1LMNARAB9ASMN1; SMN2
SCHEMBL24969069 0.70 CYP3A4 (0.48) NPC1LMNAMAPTCYP19A1ALDH1A1
SCHEMBL30152309 0.70 CYP3A4 (0.48) NPC1LMNAMAPTCYP19A1ALDH1A1
SCHEMBL5451243 0.70 MEN1 (0.49) GAANPC1LMNAMAPTMEN1

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