SCHEMBL24844799

SCHEMBL24844799

COC(=O)C1CN(c2ccc(Cn3ccnc3)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.47
CYP11B2 P19099 6/20 0.46
CYP19A1 P11511 2/20 0.46
TBXAS1 P24557 5/20 0.45
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL24844800 0.86 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL24845020 0.78 NAMPT (0.45) CYP11B1CYP11B2CYP19A1TBXAS1NPC1
SCHEMBL24844827 0.76 TBXAS1 (0.60) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL24844794 0.73 CYP19A1 (0.50) CYP11B1CYP11B2CYP19A1TBXAS1NPC1
SCHEMBL20474651 0.72 ACACB (0.51) NPC1POLB
SCHEMBL30473867 0.72 ACACB (0.51) NPC1POLB
SCHEMBL24312834 0.72 KDM4E (0.43) NPC1
SCHEMBL24845027 0.70 TBXAS1 (0.64) CYP11B1CYP11B2CYP19A1TBXAS1NPC1
SCHEMBL24844842 0.70 TBXAS1 (0.51) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL24844793 0.69 TBXAS1 (0.56) CYP11B1CYP11B2CYP19A1TBXAS1POLB

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