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SCHEMBL14330788

SCHEMBL14330788

CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(N(c5ccccc5)c5ccccc5)cc34)cc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL12014689 1.00 PDK2 (0.31) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL13333897 0.99 CYP1A2 (0.32) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL15002733 0.97 PDK2 (0.33) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL15002775 0.97 PDK2 (0.33) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL12770688 0.97 SLC6A2 (0.30) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL13333478 0.96 PDK2 (0.32) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL13341810 0.96 PDK2 (0.31) PDK2
SCHEMBL13333948 0.96 PDK2 (0.32) PDK2
SCHEMBL13333573 0.96 PDK2 (0.32) PDK2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL13615774 0.96 PDK2 (0.33) 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-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
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