SCHEMBL14435374

SCHEMBL14435374

NCc1cnc2nc(N)nc(N)c2n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.55
DHFR P00374 1/20 0.52

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
SCHEMBL30432658 1.00 NOS1 (0.55) NOS1DHFR
SCHEMBL30311333 0.84 NOS1 (0.54) NOS1DHFR
SCHEMBL64146 0.84 NOS1 (0.54) NOS1DHFR
SCHEMBL30435493 0.84 NOS1 (0.54) NOS1DHFR
SCHEMBL8813993 0.84 NOS1 (0.61) NOS1DHFR
SCHEMBL8813960 0.84 NOS1 (0.54) NOS1DHFR
SCHEMBL5013975 0.84 NOS1 (0.61) NOS1DHFR
SCHEMBL64019 0.84 NOS1 (0.54) NOS1DHFR
SCHEMBL31143797 0.84 NOS1 (0.54) NOS1DHFR
SCHEMBL28524722 0.84 NOS1 (0.54) NOS1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390784-B2 Administering bifunctional molecules containing a drug moiety and presenter protein ligand for therapy THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-06-24 US disclosed
WO-2007098089-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH METHOTREXATE N-OXIDE AND ANALOGS NOVACEA, INC. (US) 2007-08-30 WO disclosed