SCHEMBL24844882

SCHEMBL24844882

O=C(O)C1CC1c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.56
CYP19A1 P11511 5/20 0.54
CYP11B1 P15538 4/20 0.52
CYP11B2 P19099 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
QPCT Q16769 1/20 0.51
CYP4Z1 Q86W10 1/20 0.51
QPCTL Q9NXS2 1/20 0.51
CYP2A6 P11509 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP17A1 P05093 1/20 0.50

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
SCHEMBL24844753 1.00 TBXAS1 (0.56) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL24845649 1.00 TBXAS1 (0.56) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL24845027 0.85 TBXAS1 (0.64) TBXAS1CYP19A1CYP11B1CYP11B2POLB
SCHEMBL24844859 0.83 TBXAS1 (0.49) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL30110512 0.83 TBXAS1 (0.49) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL24845187 0.83 TBXAS1 (0.49) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL24844749 0.83 TBXAS1 (0.42) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL24844879 0.83 TBXAS1 (0.42) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL24845255 0.83 CYP11B1 (0.52) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL24844772 0.83 CYP11B1 (0.52) TBXAS1CYP19A1CYP11B1CYP11B2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023274257-A1 IMIDAZOLE COMPOUND, AND INTERMEDIATE AND APPLICATION THEREOF 诸葛国琴 2023-01-05 WO disclosed