SCHEMBL9684770

SCHEMBL9684770

COc1cccc2c3c(c[n+]([O-])c12)CCCN3c1ccccc1C

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL9684850 0.76 ATP4A (0.52) KDM4EALDH1A1
Iodide SCHEMBL2830855 0.72 KDM4E (0.52) KDM4EALDH1A1
SCHEMBL9685709 0.69 KDM4E (0.46) KDM4EALDH1A1
SCHEMBL9685162 0.65 KDM4E (0.86) KDM4EALDH1A1
SCHEMBL27730947 0.65 ROCK1 (0.49) ALDH1A1
SCHEMBL20490797 0.63 TUBB4A (0.65) KDM4EALDH1A1
SCHEMBL8484042 0.63 KDM4E (0.52) KDM4EALDH1A1
SCHEMBL13312024 0.61 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9687149 0.60 KDM4E (0.63) KDM4EALDH1A1
SCHEMBL9685739 0.60 KDM4E (0.45) KDM4E

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-0307078-B1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1992-08-26 EP disclosed
US-5051508-A Antisecretory agents and enzyme inhibitors as antiulcer agents SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1991-09-24 US disclosed
EP-0307078-A1 Quinoline derivatives, process for their preparation and pharmaceutical compositions containing them SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-03-15 EP disclosed