SCHEMBL29957359

SCHEMBL29957359

O=Cc1c(N2CCCCC2)nc2ccccn2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
MAPT P10636 7/20 0.77
POLB P06746 3/20 0.77
GAA P10253 2/20 0.77
GFER P55789 1/20 0.77
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
KDM4E B2RXH2 2/20 0.64
HTT P42858 1/20 0.64
RXFP1 Q9HBX9 1/20 0.62
RECQL P46063 1/20 0.61
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL15331618 1.00 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL29957473 0.99 ALDH1A1 (0.97) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL29955490 0.87 ALDH1A1 (0.77) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL29956658 0.87 GAA (1.00) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL15330999 0.87 POLB (0.97) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL15331137 0.85 ALDH1A1 (0.73) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL15330345 0.84 KMT2A (0.76) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL29956904 0.79 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL29951842 0.79 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTPOLBGAA
SCHEMBL3955093 0.79 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPTPOLBGAA

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