SCHEMBL28613441

SCHEMBL28613441

CCC(c1ccc(C#N)cc1)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.52
ALDH1A1 P00352 1/20 0.46
TSHR P16473 2/20 0.44
CYP19A1 P11511 8/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
ELANE P08246 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EPHX2 P34913 1/20 0.40
OPRD1 P41143 1/20 0.40
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 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
SCHEMBL17071854 0.94 TSHR (0.50) CYP2A6ALDH1A1TSHRCYP19A1KDM4E
SCHEMBL9641685 0.94 TSHR (0.50) CYP2A6ALDH1A1TSHRCYP19A1KDM4E
SCHEMBL23126408 0.90 EPHX2 (0.51) CYP2A6ALDH1A1CYP19A1KDM4EEPHX2
SCHEMBL8578237 0.86 EPHX2 (0.48) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL30468718 0.83 CYP19A1 (0.49) CYP2A6ALDH1A1TSHRCYP19A1KDM4E
SCHEMBL16846502 0.82 CYP2A6 (0.52) CYP2A6ALDH1A1TSHRCYP19A1KDM4E
SCHEMBL2758516 0.80 CYP2A6 (0.50) CYP2A6ALDH1A1TSHRCYP19A1GAA
SCHEMBL26205757 0.80 CYP2A6 (0.50) CYP2A6ALDH1A1TSHRCYP19A1GAA
SCHEMBL8737419 0.80 CYP2A6 (0.50) CYP2A6ALDH1A1TSHRCYP19A1GAA
SCHEMBL30585956 0.79 CYP19A1 (0.51) CYP2A6ALDH1A1TSHRCYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114650979-B Compound, mixture, curable resin composition, cured product thereof, and method for producing compound 日本化药株式会社 2024-09-17 CN disclosed
CN-114196204-B Prepreg, laminate, metal foil-clad laminate, printed wiring board, and multilayer printed wiring board 三菱瓦斯化学株式会社 2024-07-16 CN disclosed
CN-118234802-A Resin composition, prepreg, resin sheet, laminate, metal foil-clad laminate, and printed wiring board 三菱瓦斯化学株式会社 2024-06-21 CN disclosed
CN-110076946-B Precursor for three-layer structure resin-based composite material and preparation method thereof 苏州大学 2021-08-27 CN disclosed