SCHEMBL24406663

SCHEMBL24406663

CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc5c4-c4ccccc4C5(C)C)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.44
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AR P10275 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ APP P05067 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PGR P06401 3/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ GNG2 P59768 1/20 0.30
▸ GNB1 P62873 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24968708 0.94 PDK2 (0.44) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL19011255 0.93 PDK2 (0.41) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL24969648 0.93 PDK2 (0.43) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL30721691 0.92 PDK2 (0.47) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL25657121 0.92 PDK2 (0.47) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL24969757 0.92 PDK2 (0.43) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL24969179 0.91 PDK2 (0.41) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL25647182 0.90 PDK2 (0.46) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL20346073 0.89 PDK2 (0.41) PDK2MEN1ALDH1A1ARMAPT
SCHEMBL21479977 0.88 ALDH1A1 (0.41) PDK2MEN1ALDH1A1ARMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024013275-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-18 — — WO disclosed
WO-2024013276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-18 — — WO disclosed
WO-2022096172-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-05-12 — — WO disclosed
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