SCHEMBL30318845

SCHEMBL30318845

CC1(C)c2ccccc2-c2cc(Nc3cccc(-c4ccccc4)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.43
▸ EPHX2 P34913 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ AR P10275 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ APP P05067 1/20 0.37

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
SCHEMBL17194808 1.00 PDK2 (0.43) PDK2EPHX2MEN1MAPTKMT2A
SCHEMBL23658595 0.94 PDK2 (0.40) PDK2EPHX2MEN1MAPTKMT2A
SCHEMBL17194810 0.91 PDK2 (0.40) PDK2EPHX2MEN1MAPTKMT2A
SCHEMBL15275876 0.91 PDK2 (0.49) PDK2EPHX2MEN1MAPTKMT2A
SCHEMBL22000708 0.91 MEN1 (0.43) PDK2EPHX2MEN1MAPTKMT2A
SCHEMBL29440300 0.91 PDK2 (0.49) PDK2EPHX2MEN1MAPTKMT2A
SCHEMBL14681512 0.91 PDK2 (0.44) PDK2EPHX2MEN1MAPTKMT2A
SCHEMBL24055888 0.91 PDK2 (0.44) PDK2EPHX2MEN1MAPTKMT2A
SCHEMBL30266582 0.91 PDK2 (0.44) PDK2EPHX2MEN1MAPTKMT2A
SCHEMBL24968672 0.90 EPHX2 (0.37) PDK2EPHX2MEN1MAPTKMT2A

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-112430190-B Aromatic amine derivative and organic electroluminescent device comprising same 北京夏禾科技有限公司 2023-04-18 — — CN disclosed
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