SCHEMBL6014233

SCHEMBL6014233

CCNC(N)=O.O=C(O)c1cc2cc3c(cc2nc1-c1ccccc1)OCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 2/20 0.41
HIF1A Q16665 1/20 0.41
CTNNB1 P35222 1/20 0.41
DHODH Q02127 2/20 0.41

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
SCHEMBL6014236 0.89 ALDH1A1 (0.44) ALDH1A1KDM4ETP53SMN1; SMN2MEN1
SCHEMBL6014292 0.89 GSK3B (0.43) ALDH1A1KDM4ETP53SMN1; SMN2MEN1
SCHEMBL6014249 0.84 MAPT (0.42) ALDH1A1KDM4ETP53SMN1; SMN2MEN1
SCHEMBL6014259 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ETP53SMN1; SMN2MEN1
SCHEMBL6014267 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ETP53SMN1; SMN2MEN1
SCHEMBL6014314 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETP53SMN1; SMN2MEN1
Urea SCHEMBL6014244 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ETP53SMN1; SMN2MEN1
SCHEMBL6014296 0.81 KMT2A (0.41) ALDH1A1KDM4ETP53SMN1; SMN2MEN1
SCHEMBL6014269 0.80 KMT2A (0.40) ALDH1A1KDM4ETP53SMN1; SMN2MEN1
SCHEMBL6014317 0.79 GABRA1 (0.41) ALDH1A1KDM4ETP53SMN1; SMN2MEN1

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
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO claimed
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO disclosed