SCHEMBL9748655

SCHEMBL9748655

CN(C)Cc1cnc2c(OCc3ccccc3)cccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.52
ATP4B P51164 3/20 0.52
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
MEN1 O00255 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PSEN1 P49768 6/20 0.47
PSEN2 P49810 6/20 0.47
APH1B Q8WW43 6/20 0.47
NCSTN Q92542 6/20 0.47
APH1A Q96BI3 6/20 0.47
PSENEN Q9NZ42 6/20 0.47
MAPK8 P45983 4/20 0.42
MAPK9 P45984 4/20 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
Iodomethane SCHEMBL11069979 0.97 ATP4A (0.50) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL17802256 0.83 PSEN1 (0.48) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL11067355 0.83 ATP4A (0.60) ATP4AATP4BMAPK1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL19348519 0.82 PSEN1 (0.48) ATP4AATP4BMAPK1CYP1A2CYP3A4
Iodide SCHEMBL9747433 0.81 ATP4A (0.51) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL9114744 0.81 ATP4A (0.53) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL14290124 0.80 ATP4A (0.53) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL2193526 0.80 ATP4A (0.63) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL9282572 0.79 PSEN1 (0.41) ATP4AATP4BCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9186149 0.78 PSEN1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9PSEN1

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 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
EP-0033094-B1 IMIDAZO(1,2-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1984-10-10 EP disclosed
US-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 US disclosed
EP-0033094-A1 Imidazo(1,2-a)pyridines, processes for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1981-08-05 EP disclosed