SCHEMBL11239249

SCHEMBL11239249

Cc1cc(C)c(C)c(CC2(CCn3ccnc3)OCCO2)c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL11246479 0.95 ALDH1A1 (0.39) HMOX1ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL11243887 0.91 CYP11B1 (0.49) HMOX1CYP11B1CYP11B2KMT2A
SCHEMBL11238541 0.89 ALDH1A1 (0.39) ALDH1A1KDM4ECYP11B1CYP11B2KMT2A
SCHEMBL11233199 0.88 CYP11B1 (0.52) HMOX1ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL11235766 0.87 ALDH1A1 (0.37) ALDH1A1KDM4ECYP11B1CYP11B2KMT2A
SCHEMBL11239019 0.87 HMOX1 (0.48) HMOX1CYP11B1CYP11B2
SCHEMBL11246523 0.86 ALDH1A1 (0.37) ALDH1A1KDM4ECYP11B1CYP11B2KMT2A
SCHEMBL11240528 0.86 CYP11B1 (0.47) HMOX1CYP11B1CYP11B2KMT2A
SCHEMBL11245667 0.84 HMOX1 (0.49) HMOX1ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL11231027 0.83 CYP11B1 (0.50) HMOX1ALDH1A1KDM4ECYP11B1CYP11B2

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-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed
US-4313951-A 3-Substituted-6-(lower-alkyl)-5-(pyridinyl)-2(1H)-pyridinones, their cardiotonic use and intermediates therefor STERLING DRUG INC. (US) 1982-02-02 US disclosed