SCHEMBL31662593

SCHEMBL31662593

COC(=O)c1cc(Oc2ccc3c(c2)CCO3)c2c(cnn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
NPBWR1 P48145 1/20 0.39
CREBBP Q92793 1/20 0.38
GSK3B P49841 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GPR183 P32249 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
FFAR1 O14842 1/20 0.35
PIK3CA P42336 1/20 0.35
RYR2 Q92736 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CLK1 P49759 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL31662390 0.89 PPARG (0.41) PPARGNPBWR1CREBBPCA12CA1
SCHEMBL31662519 0.79 CA12 (0.41) NPBWR1CA12CA1CA2CA9
SCHEMBL31662290 0.78 USP2 (0.39) NPBWR1NPC1RAB9ASMN1; SMN2SCN9A
SCHEMBL31662404 0.77 SCN9A (0.40) NPBWR1CA12CA1CA2CA9
SCHEMBL31662347 0.77 LMNA (0.38) CA12CA1CA2CA9SCN9A
SCHEMBL31662527 0.74 MAPT (0.41) NPBWR1RAB9ASMN1; SMN2SCN9A
SCHEMBL31662315 0.74 MAPT (0.41) NPBWR1RAB9ASMN1; SMN2SCN9A
SCHEMBL31662262 0.73 LMNA (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL3490016 0.70 PRKCI (0.57) GSK3BCA12CA1CA2CA9
SCHEMBL31417661 0.70 PRKCI (0.57) GSK3BCA12CA1CA2CA9

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed