SCHEMBL11240992

SCHEMBL11240992

Cc1ccc(CC(=O)Cn2ccnc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMOX2 P30519 1/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP19A1 P11511 1/20 0.43
TBXAS1 P24557 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
PLAA Q9Y263 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11245721 0.87 POLB (0.48) CYP11B1CYP11B2TDP1POLBCTDSP1
SCHEMBL11247258 0.87 TBXAS1 (0.44) HMOX2CYP11B1CYP11B2TDP1POLB
SCHEMBL11256237 0.86 TBXAS1 (0.43) HMOX2CYP11B1CYP11B2TDP1POLB
SCHEMBL11261839 0.85 KDM4E (0.50) TDP1POLBCTDSP1ALDH1A1TBXAS1
SCHEMBL11245838 0.82 CYP11B1 (0.60) HMOX2CYP11B1CYP11B2ALDH1A1
SCHEMBL11248355 0.80 CYP19A1 (0.59) HMOX2CYP11B1CYP11B2ALDH1A1CYP19A1
SCHEMBL11243136 0.78 CYP11B1 (0.63) HMOX2CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL11269463 0.78 POLB (0.47) CYP11B1CYP11B2TDP1POLBCTDSP1
SCHEMBL11237322 0.77 CYP11B1 (0.59) HMOX2CYP11B1CYP11B2ALDH1A1CYP19A1
SCHEMBL11238564 0.76 ALDH1A1 (0.47) HMOX2CYP11B1CYP11B2TDP1ALDH1A1

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
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed
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