SCHEMBL9808728

SCHEMBL9808728

C#CC(O)(c1cncnc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 15/20 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
SCHEMBL10574572 0.78 CYP19A1 (0.37) CYP19A1
SCHEMBL9808739 0.77 CYP19A1 (0.36) CYP19A1
SCHEMBL10579559 0.74 CYP3A4 (0.37) CYP19A1
SCHEMBL10575805 0.74 CYP19A1 (0.34) CYP19A1
SCHEMBL15193497 0.74 CYP19A1 (0.42) CYP19A1
SCHEMBL10585362 0.73 CYP19A1 (0.44) CYP19A1
SCHEMBL10578508 0.73 CYP3A4 (0.36) CYP19A1
SCHEMBL10576796 0.73 CYP19A1 (0.45) CYP19A1
SCHEMBL10761825 0.72 CYP19A1 (0.42) CYP19A1
SCHEMBL11077864 0.72 CYP2D6 (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2235870-A — — None — — JP disclosed
US-5026418-A Plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-25 — — US disclosed
JP-H02235870-A PYRIMIDINE DERIVATIVES IMPERIAL CHEM IND PLC <ICI> 1990-09-18 — — JP disclosed
EP-0383438-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-22 — — EP disclosed
EP-0382368-A1 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-16 — — EP disclosed
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