SCHEMBL9849797

SCHEMBL9849797

Nc1nc(N)c(CCc2csc(C(=O)O)c2)c(O)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.51
FOLR2 P14207 1/20 0.37
FOLR1 P15328 1/20 0.37
GART P22102 1/20 0.37
SLC19A1 P41440 1/20 0.37
DHFR P00374 4/20 0.34
CYP2D6 P10635 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AB1 P08238 1/20 0.31
LDHA P00338 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9849722 0.92 DAO (0.46) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9849630 0.92 DAO (0.46) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9850021 0.91 DAO (0.45) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9849678 0.88 DAO (0.38) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9850059 0.81 FOLR2 (0.39) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9850000 0.81 FOLR2 (0.37) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9849648 0.80 FOLR2 (0.37) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9849802 0.77 DAO (0.37) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9849782 0.75 FOLR1 (0.41) DAOFOLR1DHFRCYP2D6MAPT
SCHEMBL27908407 0.72 CYP2D6 (0.62) DHFRCYP2D6ATM

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
EP-0415510-A2 L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-03-06 EP disclosed
US-4920125-A L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-04-24 US disclosed