SCHEMBL22926653

SCHEMBL22926653

Bc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(B)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PDK2 Q15119 16/20 0.34
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S100A4 P26447 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
SCHEMBL21416434 1.00 KDM4E (0.41) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL807848 1.00 KDM4E (0.41) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL18819345 0.89 KDM4E (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL807828 0.89 PDK2 (0.49) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL808142 0.88 MEN1 (0.48) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL19007414 0.88 SMN1; SMN2 (0.40) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL19658521 0.87 KDM4E (0.45) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL18294197 0.87 KDM4E (0.45) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL13850600 0.85 ALDH1A1 (0.44) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL14345591 0.85 PDK2 (0.50) PDK2THRBTDP1

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
US-20210028376-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-01-28 US disclosed