SCHEMBL23398761

SCHEMBL23398761

CC(C)Cc1cn(-c2ccccc2)nc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HTT P42858 1/20 0.42
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL23403657 0.86 KMT2A (0.43) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL23402830 0.84 ADORA3 (0.42) ALDH1A1HSD17B10NPSR1MEN1KMT2A
SCHEMBL23401324 0.82 RAB9A (0.47) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL23403486 0.81 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL23402912 0.80 GABRA1 (0.39) KDM4EALDH1A1GABRA1GABRB2GAA
SCHEMBL23401521 0.79 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL23400061 0.77 RAB9A (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL11837026 0.77 ALDH1A1 (0.49) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5407279 0.75 KDM4E (0.68) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL23398714 0.75 ESR2 (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed