SCHEMBL7375007

SCHEMBL7375007

C[C](C(N)=O)c1c(C)ncn1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 4/20 0.38
APOBEC3G Q9HC16 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
CTDSP1 Q9GZU7 2/20 0.31
BCAT2 O15382 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL19797901 0.82 APOBEC3A (0.41) APOBEC3AAPOBEC3GSMN1; SMN2ALDH1A1MEN1
SCHEMBL3054669 0.76 APOBEC3A (0.42) APOBEC3AAPOBEC3GSMN1; SMN2ALDH1A1KMT2A
SCHEMBL23716719 0.75 APOBEC3A (0.41) APOBEC3AAPOBEC3GSMN1; SMN2ALDH1A1KMT2A
SCHEMBL20360594 0.74 KDM4E (0.49) APOBEC3AAPOBEC3GSMN1; SMN2ALDH1A1MAPT
SCHEMBL23367000 0.74 APOBEC3A (0.41) APOBEC3AAPOBEC3GSMN1; SMN2ALDH1A1MAPT
SCHEMBL23716720 0.73 APOBEC3A (0.40) APOBEC3AAPOBEC3GSMN1; SMN2ALDH1A1CTDSP1
Hydrochloric Acid SCHEMBL23354063 0.73 APOBEC3A (0.40) APOBEC3AAPOBEC3GSMN1; SMN2ALDH1A1MAPT
SCHEMBL25562761 0.72 APOBEC3A (0.39) APOBEC3AAPOBEC3GSMN1; SMN2ALDH1A1MAPT
SCHEMBL25457959 0.72 APOBEC3A (0.46) APOBEC3AAPOBEC3GSMN1; SMN2ALDH1A1MAPT
SCHEMBL15833426 0.71 APOBEC3A (0.42) APOBEC3AAPOBEC3G

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed