SCHEMBL30583125

SCHEMBL30583125

COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 10/20 1.00

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
SCHEMBL4987721 1.00 DHFR (1.00) DHFR
SCHEMBL4314171 0.82 DHFR (1.00) DHFR
SCHEMBL5358700 0.80 DHFR (0.67) DHFR
SCHEMBL9587800 0.78 DHFR (0.70) DHFR
SCHEMBL19427449 0.76 DHFR (0.59) DHFR
SCHEMBL9587663 0.73 DHFR (0.68) DHFR
SCHEMBL9587475 0.71 DHFR (0.57) DHFR
SCHEMBL9587679 0.70 DHFR (0.63) DHFR
SCHEMBL4753837 0.69 DHFR (0.53) DHFR
SCHEMBL5359927 0.69 ALDH1A1 (0.61) 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
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 — — EP disclosed
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