SCHEMBL11248376

SCHEMBL11248376

CCCC1(CCC)COC(CCn2ccnc2)(Cc2c(C)cc(C)cc2C)OC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TBXAS1 P24557 1/20 0.35
ATM Q13315 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11252441 0.92 CYP11B1 (0.47) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11237327 0.90 CYP11B1 (0.47) CYP11B1CYP11B2KMT2A
SCHEMBL11246523 0.89 ALDH1A1 (0.37) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11241360 0.88 CYP11B1 (0.45) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11241708 0.88 CYP11B1 (0.49) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11245940 0.88 CYP11B1 (0.43) CYP11B1CYP11B2KDM4EALDH1A1TBXAS1
SCHEMBL11235289 0.86 POLB (0.40) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11233199 0.86 CYP11B1 (0.52) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11231027 0.84 CYP11B1 (0.50) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11229193 0.83 CYP19A1 (0.45) CYP11B1CYP11B2ALDH1A1

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 2 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