SCHEMBL7476028

SCHEMBL7476028

COc1ccc(N2CCN(Cc3nsc4nc5ccccc5n34)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
LMNA P02545 4/20 0.68
GFER P55789 1/20 0.68
DRD4 P21917 3/20 0.53
GAA P10253 4/20 0.52
GRM2 Q14416 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMO Q99835 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL7475139 0.88 GRM2 (0.62) MAPTLMNAGFERDRD4GAA
SCHEMBL7473319 0.86 GRM2 (0.51) MAPTLMNAGFERDRD4GAA
SCHEMBL7477760 0.83 MAPT (0.56) MAPTLMNAGFERDRD4GAA
SCHEMBL7474510 0.82 KDM4E (0.48) MAPTLMNAGFERDRD4GAA
SCHEMBL4146837 0.81 LMNA (1.00) MAPTLMNAGFERDRD4GAA
SCHEMBL7477891 0.80 GRM2 (0.49) LMNADRD4GAAGRM2SMN1; SMN2
SCHEMBL7477813 0.80 KDM4E (0.49) MAPTLMNAGFERDRD4GAA
SCHEMBL7474146 0.79 HPGD (0.59) MAPTLMNAGAAGRM2SMN1; SMN2
SCHEMBL7477326 0.79 MEN1 (0.52) MAPTLMNADRD4GAAGRM2
SCHEMBL7477902 0.78 GRM2 (0.64) DRD4GRM2SMN1; SMN2TSHRHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP claimed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US claimed
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP disclosed