SCHEMBL14577705

SCHEMBL14577705

CC1(C)N=C(N)N=C(N)N1c1cccc(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.70
LMNA P02545 1/20 0.66

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
SCHEMBL670885 0.82 DHFR (1.00) DHFR
SCHEMBL14577833 0.81 CYP2D6 (0.70) DHFR
SCHEMBL1938185 0.81 DHFR (1.00) DHFRLMNA
SCHEMBL14577773 0.78 GAA (0.72)
SCHEMBL14577823 0.76
Chlorcycloguanil SCHEMBL8986158 0.75 DHFR (1.00) DHFR
SCHEMBL672523 0.74 DHFR (0.57) DHFRLMNA
SCHEMBL8738859 0.73 CYP2D6 (1.00) DHFR
SCHEMBL670498 0.72 DHFR (0.79) DHFR
Hydrochloric Acid SCHEMBL6115373 0.72 CYP2D6 (0.98) DHFRLMNA

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
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed