SCHEMBL3947760

SCHEMBL3947760

CCCCCCCCCCCCCCCCNC(=O)c1cccc(N)c1N

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.62
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
ALOX15 P16050 3/20 0.56
HPGD P15428 2/20 0.56
ALOX5 P09917 3/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5679156 0.88 NAAA (0.70) NAAATSHRHTTALOX15HPGD
SCHEMBL28472071 0.88 NAAA (0.70) NAAATSHRHTTALOX15HPGD
SCHEMBL5674974 0.88 NAAA (0.70) NAAATSHRHTTALOX15HPGD
SCHEMBL2159413 0.88 NAAA (0.70) NAAATSHRHTTALOX15HPGD
SCHEMBL5674958 0.88 NAAA (0.70) NAAATSHRHTTALOX15HPGD
SCHEMBL5674983 0.88 NAAA (0.70) NAAATSHRHTTALOX15HPGD
SCHEMBL5679165 0.88 NAAA (0.70) NAAATSHRHTTALOX15HPGD
SCHEMBL6065093 0.88 NAAA (0.70) NAAATSHRHTTALOX15HPGD
SCHEMBL5678437 0.88 NAAA (0.70) NAAATSHRHTTALOX15HPGD
SCHEMBL5940566 0.86 TSHR (0.70) NAAATSHRHTTALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 EP claimed
EP-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP claimed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO claimed