SCHEMBL28080992

SCHEMBL28080992

NC(c1cc[c]cc1)n1cccn1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL3996750 0.82 CYP19A1 (0.46) TSHRCYP19A1
SCHEMBL27330486 0.77 NOTUM (0.33)
SCHEMBL3435309 0.76
SCHEMBL7091178 0.74 CYP19A1 (0.39) TSHRCYP19A1
SCHEMBL15401529 0.74
SCHEMBL15401680 0.74 POLB (0.30)
SCHEMBL15402501 0.71 TSHR (0.33) TSHR
SCHEMBL2575521 0.68
Hydrochloric Acid SCHEMBL13276378 0.66
SCHEMBL3477581 0.65

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
CN-104140434-B Nitrogen heterocyclic carbene silver complex of double pyrazole alkyl functional and preparation method thereof 南开大学 2016-08-03 CN claimed
CN-104140434-B Nitrogen heterocyclic carbene silver complex of double pyrazole alkyl functional and preparation method thereof 南开大学 2016-08-03 CN disclosed