SCHEMBL8522232

SCHEMBL8522232

C#CC(O)(Cl)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.50
CYP3A4 P08684 7/20 0.49
CYP3A5 P20815 5/20 0.49
KCNA5 P22460 3/20 0.45
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6090239 0.81 CYP19A1 (0.49) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL28206645 0.78 CYP19A1 (0.58) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL1614645 0.78 CYP3A4 (0.47) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL4981210 0.78 CYP19A1 (0.59) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL8362586 0.76 TSHR (0.52) CYP3A4CYP1A2CYP2C9CYP2C19LMNA
Hydrochloric Acid SCHEMBL10578749 0.76 CYP19A1 (0.57) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL17963323 0.75 CYP3A4 (0.46) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL11628920 0.75 CYP19A1 (0.64) CYP19A1CYP3A4CYP3A5
SCHEMBL27609994 0.75 CYP19A1 (0.55) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2
SCHEMBL19627972 0.73 CYP19A1 (0.57) CYP19A1CYP3A4CYP3A5KCNA5CYP1A2

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
EP-0901490-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043286-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1997-11-20 WO disclosed