SCHEMBL30509596

SCHEMBL30509596

CC(C)(C)C(c1ccc(C#N)cc1)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP19A1 P11511 7/20 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
LOXL2 Q9Y4K0 2/20 0.39
TSHR P16473 2/20 0.39
HSD11B1 P28845 1/20 0.38
ABCC9 O60706 1/20 0.38
KCNJ11 Q14654 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL19771937 0.80 KIF11 (0.45) KIF11CYP2A6ALDH1A1CYP19A1CA12
SCHEMBL18745074 0.80 KIF11 (0.45) KIF11CYP2A6ALDH1A1CYP19A1CA12
SCHEMBL19116410 0.80 KIF11 (0.45) KIF11CYP2A6ALDH1A1CYP19A1CA12
SCHEMBL13049817 0.78 PGR (0.53) KIF11CYP2A6ALDH1A1CYP19A1CA12
SCHEMBL2995380 0.77 CYP19A1 (0.45) ALDH1A1CYP19A1CYP3A4
SCHEMBL7061737 0.77 KIF11 (0.42) KIF11CYP2A6ALDH1A1CYP19A1CA12
SCHEMBL18022517 0.74 CYP2A6 (0.48) KIF11CYP2A6ALDH1A1CYP19A1CA12
SCHEMBL30940346 0.74 CYP2A6 (0.48) KIF11CYP2A6ALDH1A1CYP19A1CA12
SCHEMBL12251108 0.74 CYP2A6 (0.48) KIF11CYP2A6ALDH1A1CYP19A1CA12
SCHEMBL13328613 0.74 CYP2A6 (0.48) KIF11CYP2A6ALDH1A1CYP19A1CA12

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-113646393-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-09-19 CN disclosed
CN-116490555-A Copper-clad laminate and printed circuit board 三菱瓦斯化学株式会社 2023-07-25 CN disclosed