SCHEMBL6014274

SCHEMBL6014274

CCCCCc1nc2cc3c(cc2cc1C(=O)O)OCO3.CCNC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 4/20 0.38
TSHR P16473 2/20 0.38
PPARG P37231 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
TP53 P04637 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38

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
SCHEMBL6014257 0.99 KMT2A (0.39) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL6014317 0.97 GABRA1 (0.41) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL6014314 0.94 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EMEN1HTT
Urea SCHEMBL6014301 0.92 GABRA1 (0.42) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL5548338 0.90 ALDH1A1 (0.42) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL6014267 0.88 ALDH1A1 (0.44) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL6014249 0.83 MAPT (0.42) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL6014259 0.83 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL6014296 0.80 KMT2A (0.41) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL6014269 0.79 KMT2A (0.40) KMT2AALDH1A1KDM4EMEN1HTT

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