SCHEMBL28304527

SCHEMBL28304527

c1ccc(-c2ccc3[nH]c4cc(-c5cccc6ccccc56)ccc4c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.49
CCND1 P24385 5/20 0.49
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
AHR P35869 1/20 0.43
MCL1 Q07820 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
TNKS2 Q9H2K2 1/20 0.42
ALK Q9UM73 1/20 0.42
BCHE P06276 1/20 0.42
KIF11 P52732 2/20 0.41
FEN1 P39748 1/20 0.40
PTGES O14684 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCNB2 O95067 1/20 0.39

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
SCHEMBL16745241 0.94 CDK4 (0.51) CDK4CCND1CA12CA1CA2
SCHEMBL3339205 0.91 CA12 (0.52) CDK4CCND1CA12CA1CA2
SCHEMBL18028385 0.90 AHR (0.47) CDK4CCND1CA12CA1CA2
SCHEMBL18428557 0.88 CA12 (0.49) CDK4CCND1CA12CA1CA2
SCHEMBL30030358 0.88 CA12 (0.49) CDK4CCND1CA12CA1CA2
SCHEMBL3419553 0.88 AHR (0.52) CDK4CCND1CA12CA1CA2
SCHEMBL17154795 0.88 CA12 (0.51) CDK4CCND1CA12CA1CA2
SCHEMBL3273641 0.88 AHR (0.52) CA12CA1CA2CA9AHR
SCHEMBL30959746 0.88 AHR (0.52) CA12CA1CA2CA9AHR
SCHEMBL14828366 0.88 MCL1 (0.47) CDK4CCND1CA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110010773-A A kind of luminescent layer and organic electroluminescence device adjusting carrier mobility 固安鼎材科技有限公司 2019-07-12 CN disclosed
CN-109962166-A Organic electroluminescence device and preparation method thereof 固安鼎材科技有限公司 2019-07-02 CN disclosed