SCHEMBL29950768

SCHEMBL29950768

Nc1ncc(I)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
IDO1 P14902 1/20 0.39
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL247814 1.00 ERN1 (0.39) ERN1IDO1HTTKMT2ANOS3
SCHEMBL124567 0.75 KMT2A (0.54) ERN1IDO1HTTKMT2A
SCHEMBL30024828 0.75 KMT2A (0.54) ERN1IDO1HTTKMT2A
SCHEMBL20124974 0.75 NOS3 (0.54) ERN1KMT2ANOS3NOS1NOS2
SCHEMBL6856791 0.75 HTT (0.30) HTTKMT2ANOS3NOS1NOS2
SCHEMBL24609208 0.75 HTT (0.30) HTTKMT2ANOS3NOS1NOS2
SCHEMBL124004 0.75 ERN1 (0.39) ERN1HTTKMT2ANOS3NOS1
SCHEMBL127596 0.75 ERN1 (0.43) ERN1IDO1HTT
SCHEMBL31056338 0.75 ERN1 (0.39) ERN1HTTKMT2ANOS3NOS1
SCHEMBL18493142 0.75 ERN1 (0.39) ERN1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed