SCHEMBL6014267

SCHEMBL6014267

CCNC(N)=O.CCc1nc2cc3c(cc2cc1C(=O)O)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 6/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TP53 P04637 2/20 0.41
PPARG P37231 2/20 0.41
TSHR P16473 2/20 0.41
NCOR2 Q9Y618 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 5/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 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
SCHEMBL6014314 0.92 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014317 0.89 GABRA1 (0.41) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014274 0.88 KMT2A (0.39) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014249 0.87 MAPT (0.42) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014257 0.87 KMT2A (0.39) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014259 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014296 0.84 KMT2A (0.41) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014269 0.84 KMT2A (0.40) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014233 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014311 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMEN1HTT

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