SCHEMBL6014249

SCHEMBL6014249

CCNC(N)=O.O=C(O)c1cc2cc3c(cc2nc1Cc1ccccc1)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 4/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
GAA P10253 2/20 0.38
PKM P14618 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
DHODH Q02127 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
SCHEMBL6014267 0.87 ALDH1A1 (0.44) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL6014314 0.86 ALDH1A1 (0.41) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL6014233 0.84 ALDH1A1 (0.41) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL6014317 0.84 GABRA1 (0.41) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL6014274 0.83 KMT2A (0.39) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL6014257 0.82 KMT2A (0.39) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL6014259 0.82 ALDH1A1 (0.43) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL6014296 0.79 KMT2A (0.41) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL6014269 0.78 KMT2A (0.40) MAPTALDH1A1KDM4EMEN1HTT
SCHEMBL6014311 0.77 ALDH1A1 (0.39) MAPTALDH1A1KDM4EMEN1HTT

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