SCHEMBL4754944

SCHEMBL4754944

COc1ccc(C[N+](=O)[O-])cc1C(=O)Oc1ccc2nc(N)nc(N)c2c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.44

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
SCHEMBL4753837 0.84 DHFR (0.53) DHFR
SCHEMBL4754937 0.83 MAPT (0.48) DHFR
SCHEMBL4756472 0.80 KMT2A (0.54) DHFR
SCHEMBL4754986 0.77 ALDH1A1 (0.49) DHFR
SCHEMBL6747492 0.75 DHFR (0.51) DHFR
SCHEMBL4756448 0.73 DHFR (0.46) DHFR
SCHEMBL4756506 0.73 DHFR (0.50) DHFR
SCHEMBL4754950 0.73 DHFR (0.41) DHFR
SCHEMBL4754948 0.73 DHFR (0.41) DHFR
SCHEMBL4755163 0.73 MEN1 (0.46) DHFR

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
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed