SCHEMBL28938166

SCHEMBL28938166

C=C(c1ccccc1)n1ccnn1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.41
CYP1A1 P04798 2/20 0.39

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
SCHEMBL7098108 0.80 CYP19A1 (0.42) CYP19A1CYP1A1
SCHEMBL21816275 0.77 F2 (0.46) CYP19A1CYP1A1
Bicarbonate SCHEMBL15511343 0.76 F2 (0.45) CYP19A1CYP1A1
SCHEMBL28938168 0.74 ELANE (0.42)
SCHEMBL11233969 0.74 CYP19A1 (0.39) CYP19A1CYP1A1
SCHEMBL11233965 0.74 CYP19A1 (0.39) CYP19A1CYP1A1
SCHEMBL24937821 0.72 ALDH1A1 (0.58)
SCHEMBL11118234 0.69 CYP19A1 (0.40) CYP19A1CYP1A1
SCHEMBL11118231 0.69 CYP19A1 (0.40) CYP19A1CYP1A1
SCHEMBL3579260 0.68 CYP19A1 (0.39) CYP19A1CYP1A1

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
CN-115594624-A Preparation method of N-terminal alkenyl azaarene 长沙资材科技有限公司(CN) 2023-01-13 CN disclosed