SCHEMBL6014317

SCHEMBL6014317

CCCCc1nc2cc3c(cc2cc1C(=O)O)OCO3.CCNC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL6014274 0.97 KMT2A (0.39) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL6014257 0.96 KMT2A (0.39) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL6014314 0.95 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EHTTMEN1
SCHEMBL6014267 0.89 ALDH1A1 (0.44) GABRA1GABRB2GABRPGABRDGABRB1
Urea SCHEMBL6014301 0.88 GABRA1 (0.42) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL5548338 0.87 ALDH1A1 (0.42) GABRA1GABRB2GABRPGABRDGABRB1
SCHEMBL6014249 0.84 MAPT (0.42) ALDH1A1KMT2AKDM4EHTTMEN1
SCHEMBL6014259 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EHTTMEN1
SCHEMBL6014296 0.81 KMT2A (0.41) ALDH1A1KMT2AKDM4EHTTMEN1
SCHEMBL6014269 0.80 KMT2A (0.40) ALDH1A1KMT2AKDM4EHTTMEN1

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