SCHEMBL30583201

SCHEMBL30583201

NCc1cc(CSc2ccccc2)c2nc(N)[nH]c(=O)c2c1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QTRT1 Q9BXR0 1/20 0.42
PNP P00491 3/20 0.41
DHFR P00374 2/20 0.40
FPGS Q05932 1/20 0.40
TYMS P04818 1/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4323438 1.00 QTRT1 (0.42) QTRT1PNPDHFRFPGSTYMS
SCHEMBL4312369 0.65 PNP (0.36) PNP
SCHEMBL30583529 0.64 TYMS (0.37) QTRT1PNPTYMS
SCHEMBL4308775 0.64 TYMS (0.37) QTRT1PNPTYMS
SCHEMBL4316132 0.61 PNP (0.35) QTRT1PNPTYMS
SCHEMBL103994 0.61 QTRT1 (1.00) QTRT1TYMSKMT2A
SCHEMBL28932180 0.60 TYMS (0.56) QTRT1DHFRTYMS
SCHEMBL12820638 0.60 SCN9A (0.56)
SCHEMBL21067387 0.60 QTRT1 (0.76) QTRT1PNPDHFRTYMS
SCHEMBL15846636 0.59 TYMS (0.57) QTRT1PNPTYMS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed