SCHEMBL31455368

SCHEMBL31455368

CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC(C(=O)OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 6/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSK P43235 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
IDO1 P14902 2/20 0.33
CASP6 P55212 1/20 0.33
VCAM1 P19320 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL31455436 1.00 MAPT (0.42) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31455310 1.00 MAPT (0.42) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31455344 0.88 MAPT (0.43) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31455401 0.88 MAPT (0.43) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31455326 0.83 DPP4 (0.37) MAPTALDH1A1HPGDKDM4EMITF
SCHEMBL31455570 0.83 DPP4 (0.37) MAPTALDH1A1HPGDKDM4EMITF
SCHEMBL31455176 0.79 MAPT (0.43) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31455109 0.79 MAPT (0.43) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL31687192 0.79 MAPT (0.43) MAPTTDP1ALDH1A1HPGDMAPK1
SCHEMBL30255307 0.79 MAPT (0.43) MAPTTDP1ALDH1A1HPGDMAPK1

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed