SCHEMBL25867472

SCHEMBL25867472

CC(C)(C)c1ccccc1Nc1ccc2c(c1)C(C)(C)c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.41
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ IDO1 P14902 1/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ P2RY1 P47900 1/20 0.34
▸ KCNK18 Q7Z418 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ POLB P06746 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
SCHEMBL25125370 0.92 PDK2 (0.39) PDK2PTGS1PTGS2IDO1MAPK14
SCHEMBL16892754 0.89 PDK2 (0.42) PDK2PTGS1PTGS2IDO1MAPK14
SCHEMBL30631793 0.89 PDK2 (0.42) PDK2PTGS1PTGS2IDO1MAPK14
SCHEMBL20181951 0.87 PDK2 (0.44) PDK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL12109361 0.84 PDK2 (0.39) PDK2PTGS1PTGS2IDO1MAPK14
SCHEMBL12109295 0.82 PDK2 (0.37) PDK2PTGS1PTGS2MAPK14TAS2R14
SCHEMBL29462256 0.82 PDK2 (0.51) PDK2PTGS1PTGS2MAPK14ALDH1A1
SCHEMBL12950969 0.82 PDK2 (0.51) PDK2PTGS1PTGS2MAPK14ALDH1A1
SCHEMBL782290 0.82 PDK2 (0.51) PDK2PTGS1PTGS2MAPK14ALDH1A1
SCHEMBL21446282 0.82 PDK2 (0.36) PDK2PTGS1PTGS2IDO1KCNK18

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
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 — — US disclosed
Send feedback