SCHEMBL9852813

SCHEMBL9852813

COC(=O)Oc1nc(C)c(C)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9852833 0.77 PDE10A (0.33) KMT2AKDM4E
SCHEMBL7011867 0.77 KMT2A (0.50) ALDH1A1HPGDKMT2AKDM4E
SCHEMBL8720788 0.71 CYP1A2 (0.56) NPSR1ALDH1A1KDM4E
SCHEMBL28478763 0.70 NPSR1 (0.50) NPSR1ALDH1A1HPGDGAAKMT2A
SCHEMBL7008162 0.70 EDNRB (0.48) NPSR1ALDH1A1GAATSHRKMT2A
SCHEMBL10083615 0.68 ALDH1A1 (0.43) ALDH1A1GAATSHRKMT2A
SCHEMBL13173070 0.67 KMT2A (0.42) ALDH1A1HPGDGAATSHRPKM
SCHEMBL7104339 0.65 DYRK1A (0.37) ALDH1A1HPGDGAAPKMKDM4E
SCHEMBL13173072 0.64 TSHR (0.42) ALDH1A1TSHRPKMKMT2AKDM4E
SCHEMBL17979462 0.63

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-0444286-A1 Sulphonylated pyrimidine carboxylic acid amides BAYER AG (DE) 1991-09-04 EP disclosed