SCHEMBL7168253

SCHEMBL7168253

C1=Cc2nc3ccccc3nc2CC1.[Na].[Na]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 4/20 0.32
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
BCHE P06276 5/20 0.32
ACHE P22303 5/20 0.32
TSHR P16473 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CACNB4 O00305 1/20 0.32
CACNA1A O00555 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
ABCC4 O15439 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNG3 O60359 1/20 0.32
CACNA1F O60840 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
SCHEMBL38102 0.98 MAPT (0.39) MAPTALDH1A1HSD17B10KDM4ETDP1
SCHEMBL7168251 0.96 MAPT (0.37) MAPTALDH1A1HSD17B10KDM4ETDP1
SCHEMBL5347514 0.91 NQO2 (0.41) MAPTALDH1A1KDM4EGAAHPGD
Oxirane SCHEMBL3048492 0.91 POLB (0.36) MAPTHSD17B10CASP1
Hydrochloric Acid SCHEMBL5348406 0.90 NQO2 (0.39) MAPTALDH1A1HSD17B10KDM4EHPGD
Pyrene SCHEMBL28979821 0.88 CYP1A2 (0.35) MAPTALDH1A1HSD17B10HPGDACHE
SCHEMBL18560548 0.87 BCHE (0.38) MAPTALDH1A1HSD17B10KDM4ETDP1
Anthraquinone SCHEMBL28662821 0.87 RAB9A (0.42) MAPTALDH1A1KDM4EBCHEACHE
SCHEMBL8064466 0.85 HRH4 (0.31) ACHE
SCHEMBL29213640 0.85 MAPT (0.34) MAPTALDH1A1HSD17B10KDM4ETDP1

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
US-6569361-B1 Polycondensation or polyaddition of electrochromic monomers are used in devices for variable transparency BAYER AKTIENGESELLSCHAFT (DE) 2003-05-27 US disclosed