SCHEMBL19061693

SCHEMBL19061693

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc5c6ccccc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c45)cn3)cc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ DUSP3 P51452 1/20 0.33
▸ PDK2 Q15119 5/20 0.32
▸ MTOR P42345 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
SCHEMBL19061336 0.90 PDK2 (0.36) DUSP3PDK2
SCHEMBL19061306 0.90 PDK2 (0.36) DUSP3PDK2
SCHEMBL19061402 0.89 PDK2 (0.32) HSD17B1HSD17B2PDK2MTOR
SCHEMBL19061653 0.89 PDK2 (0.32) HSD17B1HSD17B2PDK2MTOR
SCHEMBL19061863 0.88 PRKDC (0.35) DUSP3PDK2
SCHEMBL19061700 0.87 DUSP3 (0.34) DUSP3PDK2
SCHEMBL19061308 0.86 PDK2 (0.36) DUSP3PDK2
SCHEMBL19061861 0.86 KDM4E (0.36) DUSP3PDK2
SCHEMBL19061329 0.85 PDK2 (0.36) DUSP3PDK2
SCHEMBL19061696 0.84 PDK2 (0.32) DUSP3PDK2

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-2017111389-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE INCLUDING SAME 주식회사 두산 2017-06-29 — — WO disclosed
Send feedback