SCHEMBL21067593

SCHEMBL21067593

Nc1nc2[nH]cc(CNC(=O)O)c2c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 11/20 0.55
DHFR P00374 2/20 0.47
FOLR2 P14207 1/20 0.47
FOLR1 P15328 1/20 0.47
GART P22102 1/20 0.47
ATIC P31939 1/20 0.47
SHMT1 P34896 1/20 0.47
SLC19A1 P41440 1/20 0.47
FRK P42685 1/20 0.47
SLC46A1 Q96NT5 1/20 0.47

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
SCHEMBL19929242 0.84 TYMS (0.51) TYMSDHFRFOLR2FOLR1GART
SCHEMBL21161374 0.79 TYMS (0.49) TYMSDHFR
SCHEMBL166747 0.79 TYMS (0.49) TYMSDHFR
SCHEMBL7163242 0.79 TYMS (0.67) TYMSDHFR
SCHEMBL20883318 0.79 TYMS (0.45) TYMSDHFRFOLR2FOLR1GART
SCHEMBL21187099 0.78 TYMS (0.46) TYMSDHFRFOLR2FOLR1GART
Hydrochloric Acid SCHEMBL29602465 0.78 TYMS (0.48) TYMSDHFR
SCHEMBL19929245 0.77 PNP (0.48) TYMS
SCHEMBL24231638 0.76 TYMS (0.52) TYMSDHFRFOLR2FOLR1GART
SCHEMBL19929106 0.76 PNP (0.51) TYMSDHFRFOLR2FOLR1GART

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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed