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SCHEMBL905053

SCHEMBL905053

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(Br)cc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 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
SCHEMBL12469759 0.94 PDK2 (0.36) PDK2
SCHEMBL12003630 0.93 KDM4E (0.37) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL904405 0.93 KDM4E (0.37) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL16996073 0.92 PDK2 (0.39) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL904944 0.92 PDK2 (0.39) PDK2KDM4EMEN1MAPTKMT2A
SCHEMBL904564 0.92 PDK2 (0.39) PDK2KDM4EMEN1MAPTKMT2A
SCHEMBL17402680 0.91 PDK2 (0.37) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL19169820 0.90 PDK2 (0.37) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25563001 0.90 PDK2 (0.39) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL905062 0.89 PDK2 (0.35) PDK2KDM4EMEN1LMNAMAPT

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
WO-2012043996-A2 COMPOUND IN WHICH AMINE DERIVATIVE IS SUBSTITUTED WITH FLUORENE, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL THEREOF 덕산하이메탈(주) (KR) 2012-04-05 — — WO disclosed