SCHEMBL10037430

SCHEMBL10037430

CC1(C)c2ccccc2-c2cc(-c3ccc4c(n3)C(C)(C)c3ccc(-c5ccc6c(n5)C(C)(C)c5ccccc5-6)cc3-4)ccc21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 18/20 0.35
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL80478 1.00 PDK2 (0.35) PDK2RARARARB
SCHEMBL81682 0.94 PDK2 (0.37) PDK2
SCHEMBL81678 0.91 PDK2 (0.40) PDK2
SCHEMBL81603 0.88 PDK2 (0.32) PDK2
SCHEMBL81002 0.84 PDK2 (0.33) PDK2RARARARB
SCHEMBL81931 0.83 PDK2 (0.35) PDK2
SCHEMBL80471 0.82 MLNR (0.32)
SCHEMBL80301 0.82 KMT2A (0.34) PDK2RARARARB
SCHEMBL12127162 0.82 PDK2 (0.37) PDK2RARARARB
SCHEMBL80233 0.81 PDK2 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed