SCHEMBL21088595

SCHEMBL21088595

Cn1ccc2ccc(Nc3ccc(F)c(F)c3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.46
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
APP P05067 2/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
BCDIN3D Q7Z5W3 2/20 0.34
SOS1 Q07889 1/20 0.34
MAOB P27338 2/20 0.33
KCNN3 Q9UGI6 2/20 0.33

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
SCHEMBL12128255 0.80 DHFR (0.42) DHFRMAPTKDM4EAPPRAPGEF4
SCHEMBL16411600 0.77 MAPT (0.48) DHFRMAPTKDM4ENPC1RAB9A
SCHEMBL16943552 0.76 DHFR (0.38) DHFRMAPTKDM4EAPPRAPGEF4
SCHEMBL30720083 0.71 NCF1 (0.44) MAPTMAOB
SCHEMBL30720085 0.71 NCF1 (0.44) MAPTMAOB
SCHEMBL12128397 0.70 APP (0.53) DHFRMAPTKDM4EAPPNPC1
SCHEMBL18354324 0.70 DHFR (0.40) DHFRMAPTKDM4EAPPHPGD
SCHEMBL16943529 0.70 DHFR (0.40) DHFRMAPTKDM4EAPPHPGD
SCHEMBL12129676 0.69 APP (0.55) DHFRAPPAURKAAURKBJAK2
SCHEMBL12128973 0.69 APP (0.52) DHFRMAPTKDM4EAPPRAPGEF4

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-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 EP disclosed