SCHEMBL21086408

SCHEMBL21086408

Cn1ccnc1C(C#N)CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.35
LPO P22079 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
PGR P06401 1/20 0.33
KMT2A Q03164 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
FGB P02675 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
SCHEMBL15611853 0.84 L3MBTL1 (0.44) KDM4EL3MBTL1CYP2D6LPOGAA
Hydrochloric Acid SCHEMBL28982043 0.83 L3MBTL1 (0.43) KDM4EL3MBTL1CYP2D6LPOGAA
SCHEMBL28982056 0.79 L3MBTL1 (0.40) KDM4EL3MBTL1CYP2D6LPOGAA
Acetic Acid SCHEMBL28603086 0.76 L3MBTL1 (0.42) KDM4EL3MBTL1CYP2D6GAAMAPT
SCHEMBL9113350 0.76 KDM4E (0.44) KDM4EL3MBTL1CYP2D6LPOGAA
SCHEMBL2474436 0.74 KDM4E (0.43) KDM4EL3MBTL1CYP2D6LPOGAA
Nitric Acid SCHEMBL28891095 0.74 L3MBTL1 (0.40) KDM4EL3MBTL1CYP2D6GAAMAPT
SCHEMBL372623 0.74 KDM4E (0.43) KDM4EL3MBTL1CYP2D6LPOGAA
SCHEMBL17385605 0.73 KDM4E (0.50) KDM4EL3MBTL1CYP2D6LPOGAA
Hydrochloric Acid SCHEMBL28434530 0.73 KDM4E (0.42) KDM4EL3MBTL1CYP2D6LPOGAA

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-2962687-B1 TAU AGGREGATION INHIBITOR THE DOSHISHA (JP) 2019-06-05 EP disclosed