SCHEMBL31056174

SCHEMBL31056174

COC(=O)c1ccc(N)c(C2OCCO2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 7/20 0.50
HPGD P15428 7/20 0.50
MAPT P10636 7/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 2/20 0.45
USP2 O75604 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42

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
SCHEMBL31562734 0.88 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL29010756 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL20835506 0.84 CA12 (0.56) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL31056715 0.82 NPC1 (0.47) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL19899909 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL19900051 0.80 HPGD (0.48) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL31562843 0.79 ALDH1A1 (0.52) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL31056786 0.78 VCAM1 (0.50) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL19900095 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL19900078 0.78 ALDH1A1 (0.51) KDM4EALDH1A1HPGDMAPTNPC1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed