SCHEMBL18518003

SCHEMBL18518003

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(S(C)(C)C)cc4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.35
▸ PTGS2 P35354 8/20 0.35
▸ PTGS1 P23219 4/20 0.32
▸ NLRP3 Q96P20 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL19412437 0.94 PDK2 (0.33) PDK2PTGS2
SCHEMBL20051855 0.93 PDK2 (0.33) PDK2
SCHEMBL22183166 0.91 PDK2 (0.33) PDK2
SCHEMBL14188131 0.91 PDK2 (0.41) PDK2
SCHEMBL22182569 0.91 PDK2 (0.41) PDK2
SCHEMBL24904897 0.91 PDK2 (0.41) PDK2
SCHEMBL16922895 0.91 PDK2 (0.41) PDK2
SCHEMBL24904901 0.91 PDK2 (0.41) PDK2
SCHEMBL2783996 0.91 PDK2 (0.41) PDK2
SCHEMBL10029993 0.91 PDK2 (0.41) PDK2

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
US-20230058635-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
EP-2875699-B1 DERIVATES OF 2-DIARYLAMINOFLUOREN AND ORGANIC ELECTRONIC DEVICES COMPRISING THE SAME MERCK PATENT GMBH (DE) 2017-02-15 — — EP disclosed
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