SCHEMBL27433685

SCHEMBL27433685

COC(=O)c1c(F)ccc(OCCNC(=O)OC(C)(C)C)c1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.49
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
DRD2 P14416 5/20 0.42
PDK2 Q15119 1/20 0.41
IDO1 P14902 2/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
AXL P30530 1/20 0.40
CYP1A1 P04798 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
EGFR P00533 1/20 0.37
ITK Q08881 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
SCHEMBL30954130 1.00 SCN9A (0.49) SCN9ACA12CA1CA2CA9
SCHEMBL15525288 0.81 SCN9A (0.43) SCN9ACA12CA1CA2CA9
SCHEMBL16709793 0.81 RAB9A (0.47) SCN9ACA12CA1CA2CA9
SCHEMBL31500921 0.81 TTR (0.50) SCN9ACA12CA1CA2CA9
SCHEMBL23112200 0.80 SCN9A (0.61) SCN9ACA12CA1CA2CA9
SCHEMBL2847582 0.80 SCN9A (0.48) SCN9ACA12CA1CA2CA9
SCHEMBL16535373 0.79 SCN9A (0.43) SCN9ACA12CA1CA2CA9
SCHEMBL2844972 0.79 CA12 (0.48) SCN9ACA12CA1CA2CA9
SCHEMBL21601218 0.78 IDO1 (0.53) SCN9ACA12CA1CA2CA9
SCHEMBL31354779 0.78 SCN9A (0.46) SCN9ACA12CA1CA2CA9

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-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed