SCHEMBL9849802

SCHEMBL9849802

CC(CCCc1c(N)nc(N)nc1O)c1csc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.37
LDHA P00338 1/20 0.35
FOLR2 P14207 1/20 0.31
FOLR1 P15328 1/20 0.31
GART P22102 1/20 0.31
SLC19A1 P41440 1/20 0.31
CYP2D6 P10635 1/20 0.31
DHFR P00374 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL9849601 0.91 DHFR (0.31) FOLR2FOLR1GARTSLC19A1DHFR
SCHEMBL9849630 0.79 DAO (0.46) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9849722 0.79 DAO (0.46) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9849793 0.79 DAO (0.36) DAOFOLR1GARTCYP2D6DHFR
SCHEMBL9850021 0.78 DAO (0.45) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9849797 0.77 DAO (0.51) DAOLDHAFOLR2FOLR1GART
SCHEMBL10470251 0.76 GART (0.41) FOLR2FOLR1GARTSLC19A1DHFR
SCHEMBL9849706 0.72 DHFR (0.34) DHFR
SCHEMBL9850000 0.71 FOLR2 (0.37) DAOFOLR2FOLR1GARTSLC19A1
SCHEMBL9850059 0.71 FOLR2 (0.39) DAOFOLR2FOLR1GARTSLC19A1

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