SCHEMBL16613461

SCHEMBL16613461

CC1(C)c2ccccc2-c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4sccc34)c21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.33
ALDH1A1 P00352 1/20 0.31
DUSP3 P51452 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
SCHEMBL16613563 0.90
SCHEMBL16613677 0.89 PTGER4 (0.32)
SCHEMBL16613424 0.84
SCHEMBL16613751 0.84 CDK7 (0.32)
SCHEMBL16613530 0.81 VCP (0.37) VCPALDH1A1DUSP3
SCHEMBL16613254 0.80 DUSP3 (0.32) DUSP3
SCHEMBL16613532 0.79 VCP (0.36) VCPALDH1A1DUSP3
SCHEMBL16613353 0.79 DUSP3 (0.30) DUSP3
SCHEMBL16613531 0.78 ADORA2A (0.39) VCPALDH1A1
SCHEMBL16613488 0.77 KDM4E (0.40) VCPALDH1A1DUSP3

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed