SCHEMBL9485124

SCHEMBL9485124

CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(OC)cc2)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.68

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
SCHEMBL9485127 0.90 CYP2D6 (0.72) CYP2D6
SCHEMBL8613592 0.89 CYP2D6 (0.66) CYP2D6
SCHEMBL8589775 0.89 CYP2D6 (0.71) CYP2D6
SCHEMBL8588945 0.89 CYP2D6 (0.71) CYP2D6
SCHEMBL7776412 0.89 CYP2D6 (0.73) CYP2D6
SCHEMBL8590008 0.87 CYP2D6 (0.66) CYP2D6
SCHEMBL6360833 0.87 GHSR (0.75) CYP2D6
SCHEMBL8588853 0.86 CYP2D6 (0.67) CYP2D6
SCHEMBL30966673 0.85 NCOA1 (0.70) CYP2D6
SCHEMBL3059317 0.85 NCOA1 (0.70) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290558-B1 ANTIFOLATE AGENTS BTG INTERNATIONAL LIMITED (GB) 1993-06-16 EP claimed
EP-0290558-B1 ANTIFOLATE AGENTS BTG INTERNATIONAL LIMITED (GB) 1993-06-16 EP disclosed
US-4992444-A Antitumor agents, skin disorders BRITISH TECHNOLOGY GROUP LIMITED (GB) 1991-02-12 US disclosed