SCHEMBL5548338

SCHEMBL5548338

CCCCCc1nc2cc3c(cc2cc1C(=O)O)OCO3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
GABRA1 P14867 3/20 0.42
GABRB2 P47870 3/20 0.42
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42

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
Urea SCHEMBL6014301 0.96 GABRA1 (0.42) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014274 0.90 KMT2A (0.39) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014257 0.89 KMT2A (0.39) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014317 0.87 GABRA1 (0.41) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014314 0.82 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014267 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL30682087 0.73 KMT2A (0.46) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL6014249 0.72 MAPT (0.42) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL5796007 0.72 GABRP (0.40) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL6014259 0.70 ALDH1A1 (0.43) 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-A8 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIV RIO DE JANEIRO (BR) 2007-04-26 WO disclosed
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