SCHEMBL13333913

SCHEMBL13333913

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc(N(c6ccccc6)c6ccccc6)cc45)cc3)cc21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.31
▸ SIGMAR1 Q99720 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
SCHEMBL13615758 0.99 PDK2 (0.31) PDK2SIGMAR1
SCHEMBL13333763 0.98 PDK2 (0.31) PDK2SIGMAR1
SCHEMBL12014685 0.96 SIGMAR1 (0.32) PDK2SIGMAR1
SCHEMBL13766286 0.95 SIGMAR1 (0.32) SIGMAR1
SCHEMBL13333986 0.94 MCL1 (0.32) SIGMAR1
SCHEMBL10153150 0.93 SIGMAR1 (0.34) PDK2SIGMAR1
SCHEMBL13333598 0.92 PIM1 (0.30) SIGMAR1
SCHEMBL12770689 0.92 DHFR (0.31) PDK2SIGMAR1
SCHEMBL13333761 0.92 — —
SCHEMBL15081536 0.90 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194110-A1 Electroluminescent device using electroluminescent compounds Gracel Display Inc. (KR) 2010-06-09 — — EP disclosed
Send feedback