SCHEMBL9746609

SCHEMBL9746609

C#CCOCc1c(C)nc2c(OCc3ccccc3Br)cccn12

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.50
PSEN2 P49810 6/20 0.50
APH1B Q8WW43 6/20 0.50
NCSTN Q92542 6/20 0.50
APH1A Q96BI3 6/20 0.50
PSENEN Q9NZ42 6/20 0.50
ATP4A P20648 3/20 0.50
ATP4B P51164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9747025 0.90 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9746929 0.89 ATP4A (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10673635 0.89 ATP4A (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9746593 0.89 ATP4A (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10564971 0.87 ATP4A (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9747019 0.85 ATP4A (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL9746683 0.84 ATP4A (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10565130 0.84 ATP4A (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10671036 0.84 ATP4A (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9747667 0.81 CYP1A2 (0.51) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204285-B1 IMIDAZOHETEROCYCLIC COMPOUNDS PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP claimed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US claimed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP claimed
EP-0204285-B1 IMIDAZOHETEROCYCLIC COMPOUNDS PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP disclosed