SCHEMBL28419208

SCHEMBL28419208

N#Cc1ccc(Cn2cc(I)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.54
CYP11B1 P15538 6/20 0.44
CYP11B2 P19099 6/20 0.44
ITK Q08881 1/20 0.44

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
SCHEMBL19087155 0.81 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2
SCHEMBL15520797 0.81 MAPT (0.62) CYP19A1CYP11B1CYP11B2ITK
Hydrochloric Acid SCHEMBL21492793 0.78 LOXL2 (0.53) CYP19A1CYP11B1CYP11B2ITK
SCHEMBL19077891 0.78 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2ITK
SCHEMBL272966 0.78 L3MBTL1 (0.62) CYP19A1
SCHEMBL28393209 0.76 L3MBTL1 (0.47) CYP11B1
SCHEMBL30730357 0.76 HSD17B10 (0.57) CYP19A1CYP11B1CYP11B2ITK
SCHEMBL28138593 0.75 MEN1 (0.55) CYP19A1
SCHEMBL27364042 0.75 KLKB1 (0.54) CYP19A1CYP11B1CYP11B2ITK
SCHEMBL3261102 0.75 FFAR1 (0.50) CYP19A1CYP11B1CYP11B2ITK

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-106432246-B Heteroaromatic compounds and their use in medicine 广东东阳光药业有限公司 2020-07-07 CN disclosed