SCHEMBL18020455

SCHEMBL18020455

Cc1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2C=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.63
▸ LMNA P02545 1/20 0.62
▸ MTHFD1 P11586 1/20 0.43
▸ NOS1 P29475 9/20 0.38
▸ NOS3 P29474 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ SOST Q9BQB4 1/20 0.37
▸ FPGS Q05932 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ XDH P47989 1/20 0.34

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
SCHEMBL17500359 0.87 DHFR (0.72) DHFRLMNAMTHFD1NOS1NOS3
SCHEMBL17500357 0.87 DHFR (0.72) DHFRLMNAMTHFD1NOS1NOS3
SCHEMBL3408027 0.87 DHFR (0.72) DHFRLMNAMTHFD1NOS1NOS3
SCHEMBL18020461 0.87 MTHFD1 (0.53) DHFRLMNAMTHFD1NOS1NOS3
SCHEMBL24179695 0.80 DHFR (0.74) DHFRLMNAMTHFD1SOSTFPGS
SCHEMBL20910478 0.80 DHFR (0.74) DHFRLMNAMTHFD1SOSTFPGS
SCHEMBL18402509 0.80 DHFR (0.83) DHFRLMNAMTHFD1SOSTFPGS
SCHEMBL13509375 0.79 DHFR (0.89) DHFRLMNAMTHFD1SOSTFPGS
Folinic Acid SCHEMBL21498299 0.78 DHFR (1.00) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL3031362 0.78 DHFR (1.00) DHFRLMNAMTHFD1SOSTFPGS

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
US-9415113-B2 Targeting monomers and polymers having targeting blocks UNIVERSITY OF WASHINGTON (US) 2016-08-16 — — US disclosed
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