SCHEMBL5796700

SCHEMBL5796700

C=C(C(=O)N(C)C)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ NAPRT Q6XQN6 1/20 0.50
▸ HCAR2 Q8TDS4 1/20 0.50
▸ TSHR P16473 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ MC4R P32245 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ MC3R P41968 1/20 0.48
▸ RAB9A P51151 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.40
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL5796705 0.79 KDM4E (0.50) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL2011634 0.77 KDM4E (0.57) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL8336840 0.77 KDM4E (0.63) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL31086815 0.77 KDM4E (0.57) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL27791569 0.76 KDM4E (0.55) KDM4ENAPRTHCAR2TSHRADORA3
Hydrochloric Acid SCHEMBL27752878 0.74 KDM4E (0.48) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL21585664 0.71 ADORA3 (0.53) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL3461908 0.70 TSHR (0.57) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL16321401 0.70 ALDH1A1 (0.52) KDM4EHCAR2TSHRGAAMEN1
SCHEMBL30417911 0.70 ALDH1A1 (0.52) KDM4EHCAR2TSHRGAAMEN1

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-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 — — EP disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 — — WO disclosed
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