SCHEMBL6014278

SCHEMBL6014278

CCNC(N)=O.O=C(O)c1cc2cc3c(cc2nc1C1CCCCCC1)OCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 4/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
RXFP1 Q9HBX9 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PPARG P37231 2/20 0.36
TP53 P04637 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 3/20 0.34

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
SCHEMBL6014246 1.00 KMT2A (0.39) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL6014311 0.99 ALDH1A1 (0.39) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL6014269 0.95 KMT2A (0.40) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL6014230 0.90 NPC1 (0.39) KMT2AALDH1A1MEN1HTTKDM4E
Urea SCHEMBL6014279 0.88 L3MBTL1 (0.42) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL6014259 0.82 ALDH1A1 (0.43) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL6014267 0.81 ALDH1A1 (0.44) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL6014314 0.80 ALDH1A1 (0.41) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL6014296 0.79 KMT2A (0.41) KMT2AALDH1A1MEN1HTTKDM4E
SCHEMBL6014317 0.78 GABRA1 (0.41) KMT2AALDH1A1MEN1HTTKDM4E

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 1 patent. 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