SCHEMBL9747667

SCHEMBL9747667

C#CCOCc1c(C)nc2c(OCc3c(Cl)cccc3Cl)cccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 1/20 0.51
ATP4A P20648 2/20 0.49
ATP4B P51164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL9746929 0.88 ATP4A (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9746183 0.88 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9746444 0.86 ATP4A (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9747234 0.86 ATP4A (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9747142 0.86 ATP4A (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9747997 0.85 ATP4A (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9747019 0.85 ATP4A (0.69) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9746683 0.84 ATP4A (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9747025 0.83 PSEN1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10673635 0.82 ATP4A (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 8 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
EP-0339071-A1 IMIDAZO(1,2-a)(PYRIDAZINES OR PYRAZINES) FOR TREATMENT OF DISEASES RELATED TO BONE LOSS Aktiebolaget Hässle (SE) 1989-11-02 EP disclosed
WO-1989003833-A1 IMIDAZO(1,2-a)(PYRIDAZINES OR PYRAZINES) FOR TREATMENT OF DISEASES RELATED TO BONE LOSS Aktiebolaget Hässle (SE) 1989-05-05 WO 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