SCHEMBL8447167

SCHEMBL8447167

NNc1cc(Cl)nc(NN)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.40
MAPT P10636 8/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 3/20 0.37
PKM P14618 3/20 0.37
KDM4E B2RXH2 3/20 0.37
AGTR1 P30556 3/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLA1 P09884 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL26650728 0.79 ALDH1A1 (0.41) GAAMAPTALDH1A1KMT2APKM
SCHEMBL31373525 0.79 ALDH1A1 (0.41) GAAMAPTALDH1A1KMT2APKM
SCHEMBL7171477 0.77 CYP2D6 (0.56) GAAMAPTALDH1A1KMT2AKDM4E
SCHEMBL2721693 0.76 KMT2A (0.46) GAAMAPTALDH1A1KMT2APKM
SCHEMBL23321305 0.75 MAPT (0.48) GAAMAPTKMT2AKDM4EAGTR1
SCHEMBL18103976 0.74 ALDH1A1 (0.42) GAAMAPTALDH1A1KMT2APKM
SCHEMBL12322288 0.74 DAPK3 (0.61) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL27673819 0.73 MAPT (0.40) GAAMAPTALDH1A1KMT2APKM
SCHEMBL18689678 0.71 ALDH1A1 (0.43) GAAMAPTALDH1A1KMT2APKM
SCHEMBL4648295 0.71 MAPT (0.41) GAAMAPTALDH1A1KMT2APKM

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
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 WO disclosed